ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(3,4-dihydroxyphenyl)-2-oxoethyl]-N-(3,5-dimethylphenyl)acetamide | C29H31N5O4

2-(1H-Benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(3,4-dihydroxyphenyl)-2-oxoethyl]-N-(3,5-dimethylphenyl)acetamide

  • Molecular FormulaC29H31N5O4
  • Average mass513.588 Da
  • Monoisotopic mass513.237610 Da
  • ChemSpider ID2429506

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[2-(cyclopentylamino)-1-(3,4-dihydroxyphenyl)-2-oxoethyl]-N-(3,5-dimethylphenyl)- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(3,4-dihydroxyphenyl)-2-oxoethyl]-N-(3,5-dimethylphenyl)acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(3,4-dihydroxyphenyl)-2-oxoethyl]-N-(3,5-dimethylphenyl)acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(3,4-dihydroxyphényl)-2-oxoéthyl]-N-(3,5-diméthylphényl)acétamide [French] [ACD/IUPAC Name]

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

ASN 03798674 [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: 837.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.9±3.0 kJ/mol
Flash Point: 460.2±34.3 °C
Index of Refraction: 1.681
Molar Refractivity: 143.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 191.75
ACD/KOC (pH 5.5): 1498.06
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 185.87
ACD/KOC (pH 7.4): 1452.12
Polar Surface Area: 121 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 379.3±7.0 cm3

Click to predict properties on the Chemicalize site


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