ChemSpider 2D Image | (2R)-7-Chloro-2-[4-(dimethylamino)cyclohexyl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide | C26H34ClN3O4

(2R)-7-Chloro-2-[4-(dimethylamino)cyclohexyl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide

  • Molecular FormulaC26H34ClN3O4
  • Average mass488.019 Da
  • Monoisotopic mass487.223785 Da
  • ChemSpider ID114642144

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2R)-7-Chlor-2-[4-(dimethylamino)cyclohexyl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-2,4-dimethyl-1,3-benzodioxol-5-carboxamid [German] [ACD/IUPAC Name]
(2R)-7-Chloro-2-[4-(dimethylamino)cyclohexyl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide [ACD/IUPAC Name]
(2R)-7-Chloro-2-[4-(diméthylamino)cyclohexyl]-N-[(4,6-diméthyl-2-oxo-1,2-dihydro-3-pyridinyl)méthyl]-2,4-diméthyl-1,3-benzodioxole-5-carboxamide [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-carboxamide, 7-chloro-N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-, (2R)- [ACD/Index Name]
1809336-39-7 [RN]
valemetostat [INN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 610.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.7±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 132.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.44
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.52
Polar Surface Area: 80 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 384.5±5.0 cm3

Click to predict properties on the Chemicalize site


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