ChemSpider 2D Image | N-(4-Acetylphenyl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]propanamide | C32H35N5O4

N-(4-Acetylphenyl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]propanamide

  • Molecular FormulaC32H35N5O4
  • Average mass553.651 Da
  • Monoisotopic mass553.268921 Da
  • ChemSpider ID2443015

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-α-methyl- [ACD/Index Name]
N-(4-Acetylphenyl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]propanamid [German] [ACD/IUPAC Name]
N-(4-Acetylphenyl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]propanamide [ACD/IUPAC Name]
N-(4-Acétylphényl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(4-méthoxyphényl)-2-oxoéthyl]propanamide [French] [ACD/IUPAC Name]

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

ASN 04886882 [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: 808.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.5±3.0 kJ/mol
Flash Point: 442.5±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 157.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 540.27
ACD/KOC (pH 5.5): 3144.83
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 540.32
ACD/KOC (pH 7.4): 3145.11
Polar Surface Area: 106 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 435.7±7.0 cm3

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