ChemSpider 2D Image | N-(5-{[(2S)-4-Amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide | C24H22ClN5O2

N-(5-{[(2S)-4-Amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide

  • Molecular FormulaC24H22ClN5O2
  • Average mass447.917 Da
  • Monoisotopic mass447.146210 Da
  • ChemSpider ID25061127

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzeneacetamide, α-(2-aminoethyl)-N-[3-(benzoylamino)-1H-indazol-5-yl]-3-chloro-, (αS)- [ACD/Index Name]
N-(5-{[(2S)-4-Amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide [ACD/IUPAC Name]
N-(5-{[(2S)-4-Amino-2-(3-chlorophényl)butanoyl]amino}-1H-indazol-3-yl)benzamide [French] [ACD/IUPAC Name]
N-(5-{[(2S)-4-Amino-2-(3-chlorphenyl)butanoyl]amino}-1H-indazol-3-yl)benzamid [German] [ACD/IUPAC Name]
D15
N-{5-[(2S)-4-amino-2-(3-chlorophenyl)butanamido]-1H-indazol-3-yl}benzamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 671.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.8±31.5 °C
Index of Refraction: 1.738
Molar Refractivity: 127.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.13
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 2.31
ACD/KOC (pH 7.4): 20.32
Polar Surface Area: 113 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 71.9±3.0 dyne/cm
Molar Volume: 317.1±3.0 cm3

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