ChemSpider 2D Image | N~1~-Butyl-5-Cyano-N~3~-{(1s,2r)-1-(3,5-Difluorobenzyl)-2-Hydroxy-3-[(3-Methoxybenzyl)amino]propyl}-N~1~-Methyl-1h-Indole-1,3-Dicarboxamide | C34H37F2N5O4

N1-Butyl-5-Cyano-N3-{(1s,2r)-1-(3,5-Difluorobenzyl)-2-Hydroxy-3-[(3-Methoxybenzyl)amino]propyl}-N1-Methyl-1h-Indole-1,3-Dicarboxamide

  • Molecular FormulaC34H37F2N5O4
  • Average mass617.685 Da
  • Monoisotopic mass617.281372 Da
  • ChemSpider ID26325501

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Indole-1,3-dicarboxamide, N1-butyl-5-cyano-N3-[(1S,2R)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-3-[[(3-methoxyphenyl)methyl]amino]propyl]-N1-methyl- [ACD/Index Name]
N1-Butyl-5-cyan-N3-{(2S,3R)-1-(3,5-difluorphenyl)-3-hydroxy-4-[(3-methoxybenzyl)amino]-2-butanyl}-N1-methyl-1H-indol-1,3-dicarboxamid [German] [ACD/IUPAC Name]
N1-Butyl-5-Cyano-N3-{(1s,2r)-1-(3,5-Difluorobenzyl)-2-Hydroxy-3-[(3-Methoxybenzyl)amino]propyl}-N1-Methyl-1h-Indole-1,3-Dicarboxamide
N1-Butyl-5-cyano-N3-{(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxybenzyl)amino]-2-butanyl}-N1-methyl-1H-indole-1,3-dicarboxamide [ACD/IUPAC Name]
N1-Butyl-5-cyano-N3-{(2S,3R)-1-(3,5-difluorophényl)-3-hydroxy-4-[(3-méthoxybenzyl)amino]-2-butanyl}-N1-méthyl-1H-indole-1,3-dicarboxamide [French] [ACD/IUPAC Name]
3HH

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: 1.596
Molar Refractivity: 168.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 1.84
ACD/KOC (pH 5.5): 9.30
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 82.56
ACD/KOC (pH 7.4): 417.36
Polar Surface Area: 120 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 494.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement