ChemSpider 2D Image | (7S)-N-[(2S,3R)-1-(Benzylamino)-3-methyl-1-oxo-2-pentanyl]-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide | C32H32N4O3

(7S)-N-[(2S,3R)-1-(Benzylamino)-3-methyl-1-oxo-2-pentanyl]-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide

  • Molecular FormulaC32H32N4O3
  • Average mass520.622 Da
  • Monoisotopic mass520.247437 Da
  • ChemSpider ID68384209

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(7S)-N-[(2S,3R)-1-(Benzylamino)-3-methyl-1-oxo-2-pentanyl]-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indol-7-carboxamid [German] [ACD/IUPAC Name]
(7S)-N-[(2S,3R)-1-(Benzylamino)-3-methyl-1-oxo-2-pentanyl]-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide [ACD/IUPAC Name]
(7S)-N-[(2S,3R)-1-(Benzylamino)-3-méthyl-1-oxo-2-pentanyl]-5-oxo-7,8,13,13b-tétrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide [French] [ACD/IUPAC Name]
5H-Benz[1,2]indolizino[8,7-b]indole-7-carboxamide, 7,8,13,13b-tetrahydro-N-[(1S,2R)-2-methyl-1-[[(phenylmethyl)amino]carbonyl]butyl]-5-oxo-, (7S)- [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: 838.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.8±3.0 kJ/mol
Flash Point: 460.8±34.3 °C
Index of Refraction: 1.692
Molar Refractivity: 150.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 693.89
ACD/KOC (pH 5.5): 3761.82
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 693.89
ACD/KOC (pH 7.4): 3761.81
Polar Surface Area: 94 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 393.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement