ChemSpider 2D Image | N~2~-[(2S)-2-(3,5-Difluorophenyl)-2-hydroxyacetyl]-N-(5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)-D-alaninamide | C26H23F2N3O4

N2-[(2S)-2-(3,5-Difluorophenyl)-2-hydroxyacetyl]-N-(5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)-D-alaninamide

  • Molecular FormulaC26H23F2N3O4
  • Average mass479.475 Da
  • Monoisotopic mass479.165649 Da
  • ChemSpider ID128783549

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Benzeneacetamide, N-[(1R)-2-[(6,7-dihydro-5-methyl-6-oxo-5H-dibenz[b,d]azepin-7-yl)amino]-1-methyl-2-oxoethyl]-3,5-difluoro-α-hydroxy-, (αS)- [ACD/Index Name]
N2-[(2S)-2-(3,5-Difluorophenyl)-2-hydroxyacetyl]-N-(5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)-D-alaninamide [ACD/IUPAC Name]
N2-[(2S)-2-(3,5-Difluorophényl)-2-hydroxyacétyl]-N-(5-méthyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azépin-7-yl)-D-alaninamide [French] [ACD/IUPAC Name]
N2-[(2S)-2-(3,5-Difluorphenyl)-2-hydroxyacetyl]-N-(5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)-D-alaninamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 836.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.3±3.0 kJ/mol
Flash Point: 459.4±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 124.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 113.12
ACD/KOC (pH 5.5): 1026.89
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 113.11
ACD/KOC (pH 7.4): 1026.80
Polar Surface Area: 99 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 340.3±5.0 cm3

Click to predict properties on the Chemicalize site


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