ChemSpider 2D Image | 2-Methyl-2-propanyl {1-carbamoyl-3-[({(1R,3S,5R)-3-[(3-chloro-2-fluorobenzyl)carbamoyl]-2-azabicyclo[3.1.0]hex-2-yl}carbonyl)amino]-1H-indol-6-yl}acetate | C29H31ClFN5O5

2-Methyl-2-propanyl {1-carbamoyl-3-[({(1R,3S,5R)-3-[(3-chloro-2-fluorobenzyl)carbamoyl]-2-azabicyclo[3.1.0]hex-2-yl}carbonyl)amino]-1H-indol-6-yl}acetate

  • Molecular FormulaC29H31ClFN5O5
  • Average mass584.038 Da
  • Monoisotopic mass583.199768 Da
  • ChemSpider ID28667234

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{1-Carbamoyl-3-[({(1R,3S,5R)-3-[(3-chloro-2-fluorobenzyl)carbamoyl]-2-azabicyclo[3.1.0]hex-2-yl}carbonyl)amino]-1H-indol-6-yl}acétate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1H-Indole-6-acetic acid, 1-(aminocarbonyl)-3-[[[(1R,3S,5R)-3-[[[(3-chloro-2-fluorophenyl)methyl]amino]carbonyl]-2-azabicyclo[3.1.0]hex-2-yl]carbonyl]amino]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl {1-carbamoyl-3-[({(1R,3S,5R)-3-[(3-chloro-2-fluorobenzyl)carbamoyl]-2-azabicyclo[3.1.0]hex-2-yl}carbonyl)amino]-1H-indol-6-yl}acetate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{1-carbamoyl-3-[({(1R,3S,5R)-3-[(3-chlor-2-fluorbenzyl)carbamoyl]-2-azabicyclo[3.1.0]hex-2-yl}carbonyl)amino]-1H-indol-6-yl}acetat [German] [ACD/IUPAC Name]
1386449-47-3 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.678
Molar Refractivity: 148.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 220.09
ACD/KOC (pH 5.5): 1653.63
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 220.09
ACD/KOC (pH 7.4): 1653.63
Polar Surface Area: 136 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 394.4±7.0 cm3

Click to predict properties on the Chemicalize site


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