ChemSpider 2D Image | (2S)-2-Cyano-N-(1-hydroxy-2-methyl-2-propanyl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide | C24H28N4O5

(2S)-2-Cyano-N-(1-hydroxy-2-methyl-2-propanyl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide

  • Molecular FormulaC24H28N4O5
  • Average mass452.503 Da
  • Monoisotopic mass452.205963 Da
  • ChemSpider ID35033672

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Cyan-N-(1-hydroxy-2-methyl-2-propanyl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamid [German] [ACD/IUPAC Name]
(2S)-2-Cyano-N-(1-hydroxy-2-methyl-2-propanyl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide [ACD/IUPAC Name]
(2S)-2-Cyano-N-(1-hydroxy-2-méthyl-2-propanyl)-3-[3-(3,4,5-triméthoxyphényl)-1H-indazol-5-yl]propanamide [French] [ACD/IUPAC Name]
(2s)-2-Cyano-N-(1-Hydroxy-2-Methylpropan-2-Yl)-3-[3-(3,4,5-Trimethoxyphenyl)-1h-Indazol-5-Yl]propanamide
1H-Indazole-5-propanamide, α-cyano-N-(2-hydroxy-1,1-dimethylethyl)-3-(3,4,5-trimethoxyphenyl)-, (αS)- [ACD/Index 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: 736.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 399.2±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 123.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 129 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 361.5±3.0 cm3

Click to predict properties on the Chemicalize site


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