ChemSpider 2D Image | N-(4-Acetamidophenyl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]acetamide | C32H36N6O5

N-(4-Acetamidophenyl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]acetamide

  • Molecular FormulaC32H36N6O5
  • Average mass584.665 Da
  • Monoisotopic mass584.274719 Da
  • ChemSpider ID2432917

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-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]- [ACD/Index Name]
N-(4-Acetamidophenyl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]acetamid [German] [ACD/IUPAC Name]
N-(4-Acetamidophenyl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]acetamide [ACD/IUPAC Name]
N-(4-Acétamidophényl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3,4-diméthoxyphényl)-2-oxoéthyl]acétamide [French] [ACD/IUPAC Name]

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

ASN 04059793 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 875.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.3±3.0 kJ/mol
Flash Point: 483.4±34.3 °C
Index of Refraction: 1.646
Molar Refractivity: 162.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 99.13
ACD/KOC (pH 5.5): 934.32
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 99.14
ACD/KOC (pH 7.4): 934.38
Polar Surface Area: 128 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 446.8±7.0 cm3

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