ChemSpider 2D Image | (2E)-3-(4-{[(1-{[(13-Cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)acrylic acid | C38H38N4O5

(2E)-3-(4-{[(1-{[(13-Cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)acrylic acid

  • Molecular FormulaC38H38N4O5
  • Average mass630.732 Da
  • Monoisotopic mass630.284241 Da
  • ChemSpider ID17232102

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-{[(1-{[(13-Cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)acrylic acid [ACD/IUPAC Name]
(2E)-3-(4-{[(1-{[(13-Cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)acrylsäure [German] [ACD/IUPAC Name]
(2e)-3-(4-{[(1-{[(13-Cyclohexyl-6-Oxo-6,7-Dihydro-5h-Indolo[1,2-D][1,4]benzodiazepin-10-Yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-Enoic Acid
2-Propenoic acid, 3-[4-[[[1-[[(13-cyclohexyl-6,7-dihydro-6-oxo-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino]cyclopentyl]carbonyl]amino]phenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazépin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phényl)acrylique [French] [ACD/IUPAC Name]
23E

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1013.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.1±3.0 kJ/mol
Flash Point: 566.9±34.3 °C
Index of Refraction: 1.700
Molar Refractivity: 177.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1141.40
ACD/KOC (pH 5.5): 3487.13
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 19.24
ACD/KOC (pH 7.4): 58.77
Polar Surface Area: 130 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 460.0±7.0 cm3

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