ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(2,4-dimethoxyphenyl)-2-oxoethyl]-N-phenylacetamide | C29H31N5O4

2-(1H-Benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(2,4-dimethoxyphenyl)-2-oxoethyl]-N-phenylacetamide

  • Molecular FormulaC29H31N5O4
  • Average mass513.588 Da
  • Monoisotopic mass513.237610 Da
  • ChemSpider ID2449468

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[2-(cyclopentylamino)-1-(2,4-dimethoxyphenyl)-2-oxoethyl]-N-phenyl- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(2,4-dimethoxyphenyl)-2-oxoethyl]-N-phenylacetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(2,4-dimethoxyphenyl)-2-oxoethyl]-N-phenylacetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(2,4-diméthoxyphényl)-2-oxoéthyl]-N-phénylacétamide [French] [ACD/IUPAC Name]

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

ASN 05295463 [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: 777.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 424.2±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 144.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 259.42
ACD/KOC (pH 5.5): 1860.11
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 259.43
ACD/KOC (pH 7.4): 1860.19
Polar Surface Area: 99 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 397.7±7.0 cm3

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