ChemSpider 2D Image | Diisopropyl 2,6-dimethyl-4-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}-1,4-dihydro-3,5-pyridinedicarboxylate | C33H39N3O4S

Diisopropyl 2,6-dimethyl-4-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC33H39N3O4S
  • Average mass573.745 Da
  • Monoisotopic mass573.266113 Da
  • ChemSpider ID3389244

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,6-Diméthyl-4-{1-phényl-3-[4-(propylsulfanyl)phényl]-1H-pyrazol-4-yl}-1,4-dihydro-3,5-pyridinedicarboxylate de diisopropyle [French] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-[1-phenyl-3-[4-(propylthio)phenyl]-1H-pyrazol-4-yl]-, bis(1-methylethyl) ester [ACD/Index Name]
Diisopropyl 2,6-dimethyl-4-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Diisopropyl 2,6-dimethyl-4-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}-1,4-dihydropyridine-3,5-dicarboxylate
Diisopropyl-2,6-dimethyl-4-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
3,5-bis(propan-2-yl) 2,6-dimethyl-4-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}-1,4-dihydropyridine-3,5-dicarboxylate
diisopropyl 2,6-dimethyl-4-(1-phenyl-3-(4-(propylthio)phenyl)-1H-pyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
dipropan-2-yl 2,6-dimethyl-4-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}-1,4-dihydropyridine-3,5-dicarboxylate
methylethyl 2,6-dimethyl-5-[(methylethyl)oxycarbonyl]-4-[1-phenyl-3-(4-propylthiophenyl)pyrazol-4-yl]-1,4-dihydropyridine-3-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 683.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 367.0±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 165.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.60
ACD/LogD (pH 5.5): 7.38
ACD/BCF (pH 5.5): 237435.16
ACD/KOC (pH 5.5): 244900.91
ACD/LogD (pH 7.4): 7.38
ACD/BCF (pH 7.4): 238195.25
ACD/KOC (pH 7.4): 245684.91
Polar Surface Area: 108 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 41.3±7.0 dyne/cm
Molar Volume: 485.0±7.0 cm3

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