ChemSpider 2D Image | 5-Chloro-N-{(3R)-4-[(3R,4S)-3,4-dihydroxy-1-pyrrolidinyl]-3-hydroxy-4-oxo-1-phenyl-2-butanyl}-1H-indole-2-carboxamide | C23H24ClN3O5

5-Chloro-N-{(3R)-4-[(3R,4S)-3,4-dihydroxy-1-pyrrolidinyl]-3-hydroxy-4-oxo-1-phenyl-2-butanyl}-1H-indole-2-carboxamide

  • Molecular FormulaC23H24ClN3O5
  • Average mass457.907 Da
  • Monoisotopic mass457.140442 Da
  • ChemSpider ID68025289

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1H-Indole-2-carboxamide, 5-chloro-N-[(2R)-3-[(3R,4S)-3,4-dihydroxy-1-pyrrolidinyl]-2-hydroxy-3-oxo-1-(phenylmethyl)propyl]- [ACD/Index Name]
5-Chlor-N-{(3R)-4-[(3R,4S)-3,4-dihydroxy-1-pyrrolidinyl]-3-hydroxy-4-oxo-1-phenyl-2-butanyl}-1H-indol-2-carboxamid [German] [ACD/IUPAC Name]
5-Chloro-N-{(3R)-4-[(3R,4S)-3,4-dihydroxy-1-pyrrolidinyl]-3-hydroxy-4-oxo-1-phenyl-2-butanyl}-1H-indole-2-carboxamide [ACD/IUPAC Name]
5-Chloro-N-{(3R)-4-[(3R,4S)-3,4-dihydroxy-1-pyrrolidinyl]-3-hydroxy-4-oxo-1-phényl-2-butanyl}-1H-indole-2-carboxamide [French] [ACD/IUPAC Name]
ingliforib [INN] [USAN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 843.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.4±3.0 kJ/mol
Flash Point: 463.8±34.3 °C
Index of Refraction: 1.713
Molar Refractivity: 120.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.97
ACD/KOC (pH 5.5): 205.79
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.97
ACD/KOC (pH 7.4): 205.78
Polar Surface Area: 126 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 81.5±3.0 dyne/cm
Molar Volume: 306.1±3.0 cm3

Click to predict properties on the Chemicalize site


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