ChemSpider 2D Image | N-(2-aminophenyl)-4-[[[(2R,3S)-9-[[cyclopropyl(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide | C35H43N5O5

N-(2-aminophenyl)-4-[[[(2R,3S)-9-[[cyclopropyl(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide

  • Molecular FormulaC35H43N5O5
  • Average mass613.746 Da
  • Monoisotopic mass613.326416 Da
  • ChemSpider ID28659350

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzamide, N-(2-aminophenyl)-4-[[[[(2R,3S)-9-[(cyclopropylcarbonyl)amino]-2,3,4,5,6,7-hexahydro-5-[(1R)-2-hydroxy-1-methylethyl]-3-methyl-6-oxo-1,5-benzoxazonin-2-yl]methyl]methylamino]methyl]- [ACD/Index Name]
N-(2-aminophenyl)-4-[[[(2R,3S)-9-[[cyclopropyl(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide
N-(2-Aminophenyl)-4-{[({(2R,3S)-9-[(cyclopropylcarbonyl)amino]-5-[(2R)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-2,3,4,5,6,7-hexahydro-1,5-benzoxazonin-2-yl}methyl)(methyl)amino]methyl}benzamid [German] [ACD/IUPAC Name]
N-(2-Aminophenyl)-4-{[({(2R,3S)-9-[(cyclopropylcarbonyl)amino]-5-[(2R)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-2,3,4,5,6,7-hexahydro-1,5-benzoxazonin-2-yl}methyl)(methyl)amino]methyl}benzamide [ACD/IUPAC Name]
N-(2-Aminophényl)-4-{[({(2R,3S)-9-[(cyclopropylcarbonyl)amino]-5-[(2R)-1-hydroxy-2-propanyl]-3-méthyl-6-oxo-2,3,4,5,6,7-hexahydro-1,5-benzoxazonin-2-yl}méthyl)(méthyl)amino]méthyl}benzamide [French] [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: 791.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.7±3.0 kJ/mol
Flash Point: 432.2±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 175.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 1.45
ACD/KOC (pH 5.5): 17.16
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 32.60
ACD/KOC (pH 7.4): 385.26
Polar Surface Area: 137 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 483.3±3.0 cm3

Click to predict properties on the Chemicalize site


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