ChemSpider 2D Image | N~2~-(1H-Benzotriazol-1-ylacetyl)-N~2~-(4-chlorobenzyl)-2-methyl-N-[4-(4-morpholinyl)phenyl]alaninamide | C29H31ClN6O3

N2-(1H-Benzotriazol-1-ylacetyl)-N2-(4-chlorobenzyl)-2-methyl-N-[4-(4-morpholinyl)phenyl]alaninamide

  • Molecular FormulaC29H31ClN6O3
  • Average mass547.048 Da
  • Monoisotopic mass546.214600 Da
  • ChemSpider ID3358740

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[(4-chlorophenyl)methyl]-N-[1,1-dimethyl-2-[[4-(4-morpholinyl)phenyl]amino]-2-oxoethyl]- [ACD/Index Name]
N2-(1H-Benzotriazol-1-ylacetyl)-N2-(4-chlorbenzyl)-2-methyl-N-[4-(4-morpholinyl)phenyl]alaninamid [German] [ACD/IUPAC Name]
N2-(1H-Benzotriazol-1-ylacetyl)-N2-(4-chlorobenzyl)-2-methyl-N-[4-(4-morpholinyl)phenyl]alaninamide [ACD/IUPAC Name]
N2-[2-(1H-Benzotriazol-1-yl)acétyl]-N2-(4-chlorobenzyl)-2-méthyl-N-[4-(4-morpholinyl)phényl]alaninamide [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: 805.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 440.7±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 152.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 345.56
ACD/KOC (pH 5.5): 1552.87
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1295.34
ACD/KOC (pH 7.4): 5821.03
Polar Surface Area: 93 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 416.6±7.0 cm3

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