ChemSpider 2D Image | 6-[4-(2-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}ethyl)phenyl]-N-[(3-hydroxypropyl)sulfonyl]-1-isopropyl-1H-indole-3-carboxamide | C31H36ClN3O5S

6-[4-(2-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}ethyl)phenyl]-N-[(3-hydroxypropyl)sulfonyl]-1-isopropyl-1H-indole-3-carboxamide

  • Molecular FormulaC31H36ClN3O5S
  • Average mass598.153 Da
  • Monoisotopic mass597.206421 Da
  • ChemSpider ID9694778

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Indole-3-carboxamide, 6-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-N-[(3-hydroxypropyl)sulfonyl]-1-(1-methylethyl)- [ACD/Index Name]
6-[4-(2-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}ethyl)phenyl]-N-[(3-hydroxypropyl)sulfonyl]-1-isopropyl-1H-indole-3-carboxamide [ACD/IUPAC Name]
6-[4-(2-{[(2R)-2-(3-Chlorophényl)-2-hydroxyéthyl]amino}éthyl)phényl]-N-[(3-hydroxypropyl)sulfonyl]-1-isopropyl-1H-indole-3-carboxamide [French] [ACD/IUPAC Name]
6-[4-(2-{[(2R)-2-(3-Chlorphenyl)-2-hydroxyethyl]amino}ethyl)phenyl]-N-[(3-hydroxypropyl)sulfonyl]-1-isopropyl-1H-indol-3-carboxamid [German] [ACD/IUPAC Name]

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: 1.627
Molar Refractivity: 161.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 1.77
ACD/KOC (pH 5.5): 10.19
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 1.93
ACD/KOC (pH 7.4): 11.10
Polar Surface Area: 129 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 456.6±7.0 cm3

Click to predict properties on the Chemicalize site


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