ChemSpider 2D Image | 3-Chloro-N-{(2S)-1-{4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl}-3-[(2-methylalanyl)amino]-2-propanyl}-4-isopropoxybenzamide | C32H38ClN5O4

3-Chloro-N-{(2S)-1-{4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl}-3-[(2-methylalanyl)amino]-2-propanyl}-4-isopropoxybenzamide

  • Molecular FormulaC32H38ClN5O4
  • Average mass592.128 Da
  • Monoisotopic mass591.261230 Da
  • ChemSpider ID9888810

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

3-Chlor-N-{(2S)-1-{4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl}-3-[(2-methylalanyl)amino]-2-propanyl}-4-isopropoxybenzamid [German] [ACD/IUPAC Name]
3-Chloro-N-{(2S)-1-{4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl}-3-[(2-methylalanyl)amino]-2-propanyl}-4-isopropoxybenzamide [ACD/IUPAC Name]
3-Chloro-N-{(2S)-1-{4-[8-(1-hydroxyéthyl)imidazo[1,2-a]pyridin-2-yl]phényl}-3-[(2-méthylalanyl)amino]-2-propanyl}-4-isopropoxybenzamide [French] [ACD/IUPAC Name]
Benzamide, N-[(1S)-2-[(2-amino-2-methyl-1-oxopropyl)amino]-1-[[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]methyl]ethyl]-3-chloro-4-(1-methylethoxy)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.622
Molar Refractivity: 163.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.34
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 61.54
ACD/KOC (pH 7.4): 461.99
Polar Surface Area: 131 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 463.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement