ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide | C31H33N5O4

2-(1H-Benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

  • Molecular FormulaC31H33N5O4
  • Average mass539.625 Da
  • Monoisotopic mass539.253235 Da
  • ChemSpider ID2449116

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(4-éthylphényl)-2-oxoéthyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acétamide [French] [ACD/IUPAC Name]

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

ASN 05294602 [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: 805.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.2±3.0 kJ/mol
Flash Point: 441.1±34.3 °C
Index of Refraction: 1.677
Molar Refractivity: 151.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 699.85
ACD/KOC (pH 5.5): 3784.89
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 699.89
ACD/KOC (pH 7.4): 3785.05
Polar Surface Area: 99 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 402.1±7.0 cm3

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