ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-mesitylacetamide | C31H35N5O3

2-(1H-Benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-mesitylacetamide

  • Molecular FormulaC31H35N5O3
  • Average mass525.641 Da
  • Monoisotopic mass525.273987 Da
  • ChemSpider ID2449374

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-methoxyphenyl)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-mesitylacetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-mesitylacetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(3-méthoxyphényl)-2-oxoéthyl]-N-mésitylacétamide [French] [ACD/IUPAC Name]

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

ASN 05295221 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 781.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 426.4±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 152.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3057.78
ACD/KOC (pH 5.5): 10875.00
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3058.25
ACD/KOC (pH 7.4): 10876.69
Polar Surface Area: 89 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 421.6±7.0 cm3

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