ChemSpider 2D Image | N-(4-Acetylphenyl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]acetamide | C31H33N5O4

N-(4-Acetylphenyl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]acetamide

  • Molecular FormulaC31H33N5O4
  • Average mass539.625 Da
  • Monoisotopic mass539.253235 Da
  • ChemSpider ID2449439

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-(cyclopentylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]- [ACD/Index Name]
N-(4-Acetylphenyl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]acetamid [German] [ACD/IUPAC Name]
N-(4-Acetylphenyl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]acetamide [ACD/IUPAC Name]
N-(4-Acétylphényl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(2-éthoxyphényl)-2-oxoéthyl]acétamide [French] [ACD/IUPAC Name]

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

ASN 05295377 [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: 811.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.9±3.0 kJ/mol
Flash Point: 444.4±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 153.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 283.99
ACD/KOC (pH 5.5): 1984.63
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 284.01
ACD/KOC (pH 7.4): 1984.71
Polar Surface Area: 106 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 420.5±7.0 cm3

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