ChemSpider 2D Image | 4-(Benzyloxy)-N-[(1s,2r)-2-Hydroxy-1-({(1s)-1-[(2-Methylbenzyl)carbamoyl]-3-Phenylpropyl}carbamoyl)propyl]benzamide | C36H39N3O5

4-(Benzyloxy)-N-[(1s,2r)-2-Hydroxy-1-({(1s)-1-[(2-Methylbenzyl)carbamoyl]-3-Phenylpropyl}carbamoyl)propyl]benzamide

  • Molecular FormulaC36H39N3O5
  • Average mass593.712 Da
  • Monoisotopic mass593.289001 Da
  • ChemSpider ID26327109
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

4-(Benzyloxy)-N-[(1s,2r)-2-Hydroxy-1-({(1s)-1-[(2-Methylbenzyl)carbamoyl]-3-Phenylpropyl}carbamoyl)propyl]benzamide
4-(Benzyloxy)-N-[(2S,3R)-3-hydroxy-1-({(2S)-1-[(2-methylbenzyl)amino]-1-oxo-4-phenyl-2-butanyl}amino)-1-oxo-2-butanyl]benzamid [German] [ACD/IUPAC Name]
4-(Benzyloxy)-N-[(2S,3R)-3-hydroxy-1-({(2S)-1-[(2-methylbenzyl)amino]-1-oxo-4-phenyl-2-butanyl}amino)-1-oxo-2-butanyl]benzamide [ACD/IUPAC Name]
4-(Benzyloxy)-N-[(2S,3R)-3-hydroxy-1-({(2S)-1-[(2-méthylbenzyl)amino]-1-oxo-4-phényl-2-butanyl}amino)-1-oxo-2-butanyl]benzamide [French] [ACD/IUPAC Name]
Benzenebutanamide, α-[[(2S,3R)-3-hydroxy-1-oxo-2-[[4-(phenylmethoxy)benzoyl]amino]butyl]amino]-N-[(2-methylphenyl)methyl]-, (αS)- [ACD/Index Name]
L2T

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 902.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.5±3.0 kJ/mol
Flash Point: 499.6±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 170.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 4968.86
ACD/KOC (pH 5.5): 15394.77
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 4968.82
ACD/KOC (pH 7.4): 15394.65
Polar Surface Area: 117 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 494.7±3.0 cm3

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