ChemSpider 2D Image | (S)-Modipafant | C34H29ClN6O3

(S)-Modipafant

  • Molecular FormulaC34H29ClN6O3
  • Average mass605.086 Da
  • Monoisotopic mass604.198975 Da
  • ChemSpider ID23227001

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-Modipafant
(4S)-4-(2-Chlorophényl)-6-méthyl-2-[4-(2-méthyl-1H-imidazo[4,5-c]pyridin-1-yl)phényl]-5-(2-pyridinylcarbamoyl)-1,4-dihydro-3-pyridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
122957-07-7 [RN]
3-pyridinecarboxylic acid, 4-(2-chlorophenyl)-1,4-dihydro-6-methyl-2-[4-(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]-5-[(2-pyridinylamino)carbonyl]-, ethyl ester, (4S)- [ACD/Index Name]
Ethyl (4S)-4-(2-chlorophenyl)-6-methyl-2-[4-(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]-5-(2-pyridinylcarbamoyl)-1,4-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
ethyl (4S)-4-(2-chlorophenyl)-6-methyl-2-[4-(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
Ethyl-(4S)-4-(2-chlorphenyl)-6-methyl-2-[4-(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]-5-(2-pyridinylcarbamoyl)-1,4-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]
MODIPAFANT, (S)-
(S)-4-(2-Chloro-phenyl)-6-methyl-2-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydro-pyridine-3-carboxylic acid ethyl ester
modipafant [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

365QZ8XNNI [DBID]
UNII:365QZ8XNNI [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.682
Molar Refractivity: 170.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 546.54
ACD/KOC (pH 5.5): 1463.90
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 6998.50
ACD/KOC (pH 7.4): 18745.26
Polar Surface Area: 111 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 449.8±7.0 cm3

Click to predict properties on the Chemicalize site


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