ChemSpider 2D Image | 2-Methyl-2-propanyl (1-{[2-(isopropylamino)-1-(3-methylphenyl)-2-oxoethyl](5-methyl-2-hexanyl)amino}-1-oxo-3-sulfanyl-2-propanyl)carbamate | C27H45N3O4S

2-Methyl-2-propanyl (1-{[2-(isopropylamino)-1-(3-methylphenyl)-2-oxoethyl](5-methyl-2-hexanyl)amino}-1-oxo-3-sulfanyl-2-propanyl)carbamate

  • Molecular FormulaC27H45N3O4S
  • Average mass507.729 Da
  • Monoisotopic mass507.313080 Da
  • ChemSpider ID16550333

More details:

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

(1-{[2-(Isopropylamino)-1-(3-méthylphényl)-2-oxoéthyl](5-méthyl-2-hexanyl)amino}-1-oxo-3-sulfanyl-2-propanyl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1-{[2-(isopropylamino)-1-(3-methylphenyl)-2-oxoethyl](5-methyl-2-hexanyl)amino}-1-oxo-3-sulfanyl-2-propanyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1-{[2-(isopropylamino)-1-(3-methylphenyl)-2-oxoethyl](5-methyl-2-hexanyl)amino}-1-oxo-3-sulfanyl-2-propanyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[(1,4-dimethylpentyl)[2-[(1-methylethyl)amino]-1-(3-methylphenyl)-2-oxoethyl]amino]-1-(mercaptomethyl)-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 623.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 330.8±34.3 °C
Index of Refraction: 1.537
Molar Refractivity: 144.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.38
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 2739.49
ACD/KOC (pH 5.5): 7526.62
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 1948.03
ACD/KOC (pH 7.4): 5352.13
Polar Surface Area: 134 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 35.2±7.0 dyne/cm
Molar Volume: 463.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement