ChemSpider 2D Image | N-(1,3-Benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]acetamide | C30H31N5O4

N-(1,3-Benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]acetamide

  • Molecular FormulaC30H31N5O4
  • Average mass525.598 Da
  • Monoisotopic mass525.237610 Da
  • ChemSpider ID2449031

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-1,3-benzodioxol-5-yl-N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]- [ACD/Index Name]
N-(1,3-Benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]acetamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]acetamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(2-méthylphényl)-2-oxoéthyl]acétamide [French] [ACD/IUPAC Name]

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

ASN 05294177 [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: 795.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 434.8±32.9 °C
Index of Refraction: 1.686
Molar Refractivity: 146.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 525.48
ACD/KOC (pH 5.5): 3082.99
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 525.50
ACD/KOC (pH 7.4): 3083.13
Polar Surface Area: 99 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 386.1±7.0 cm3

Click to predict properties on the Chemicalize site


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