ChemSpider 2D Image | N-(4-Acetamidophenyl)-2-(1H-benzotriazol-1-yl)-N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]acetamide | C30H31ClN6O3

N-(4-Acetamidophenyl)-2-(1H-benzotriazol-1-yl)-N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]acetamide

  • Molecular FormulaC30H31ClN6O3
  • Average mass559.058 Da
  • Monoisotopic mass558.214600 Da
  • ChemSpider ID2432872

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[4-(acetylamino)phenyl]-N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]- [ACD/Index Name]
N-(4-Acetamidophenyl)-2-(1H-benzotriazol-1-yl)-N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]acetamide [ACD/IUPAC Name]
N-(4-Acétamidophényl)-2-(1H-benzotriazol-1-yl)-N-[1-(4-chlorophényl)-2-(cyclohexylamino)-2-oxoéthyl]acétamide [French] [ACD/IUPAC Name]
N-(4-Acetamidophenyl)-2-(1H-benzotriazol-1-yl)-N-[1-(4-chlorphenyl)-2-(cyclohexylamino)-2-oxoethyl]acetamid [German] [ACD/IUPAC Name]

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

ASN 04059613 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 861.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.2±3.0 kJ/mol
Flash Point: 474.8±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 155.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 579.59
ACD/KOC (pH 5.5): 3307.02
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 579.63
ACD/KOC (pH 7.4): 3307.23
Polar Surface Area: 109 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 412.9±7.0 cm3

Click to predict properties on the Chemicalize site


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