ChemSpider 2D Image | Methyl (2E)-3-(4-{[(1-{[(12-cyclohexyl-5,6-dihydro-4H-[1,3]oxazolo[4',5':3,4]azepino[1,2-a]indol-9-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)acrylate | C37H40N4O5

Methyl (2E)-3-(4-{[(1-{[(12-cyclohexyl-5,6-dihydro-4H-[1,3]oxazolo[4',5':3,4]azepino[1,2-a]indol-9-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)acrylate

  • Molecular FormulaC37H40N4O5
  • Average mass620.737 Da
  • Monoisotopic mass620.299866 Da
  • ChemSpider ID17232158

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-{[(1-{[(12-Cyclohexyl-5,6-dihydro-4H-[1,3]oxazolo[4',5':3,4]azépino[1,2-a]indol-9-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phényl)acrylate de méthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-[[[1-[[(12-cyclohexyl-5,6-dihydro-4H-oxazolo[4',5':3,4]azepino[1,2-a]indol-9-yl)carbonyl]amino]cyclopentyl]carbonyl]amino]phenyl]-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-3-(4-{[(1-{[(12-cyclohexyl-5,6-dihydro-4H-[1,3]oxazolo[4',5':3,4]azepino[1,2-a]indol-9-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)acrylate [ACD/IUPAC Name]
Methyl-(2E)-3-(4-{[(1-{[(12-cyclohexyl-5,6-dihydro-4H-[1,3]oxazolo[4',5':3,4]azepino[1,2-a]indol-9-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)acrylat [German] [ACD/IUPAC 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: 929.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.4±3.0 kJ/mol
Flash Point: 516.2±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 174.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6015.04
ACD/KOC (pH 5.5): 17650.44
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6015.71
ACD/KOC (pH 7.4): 17652.42
Polar Surface Area: 115 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 461.6±7.0 cm3

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