ChemSpider 2D Image | N-(1,3-Benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]acetamide | C30H31N5O6

N-(1,3-Benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]acetamide

  • Molecular FormulaC30H31N5O6
  • Average mass557.597 Da
  • Monoisotopic mass557.227417 Da
  • ChemSpider ID2432947

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-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]- [ACD/Index Name]
N-(1,3-Benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]acetamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]acetamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3-hydroxy-4-méthoxyphényl)-2-oxoéthyl]acétamide [French] [ACD/IUPAC Name]

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

ASN 04059842 [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: 856.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.6±3.0 kJ/mol
Flash Point: 471.5±34.3 °C
Index of Refraction: 1.691
Molar Refractivity: 149.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 105.78
ACD/KOC (pH 5.5): 978.69
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.77
ACD/KOC (pH 7.4): 969.36
Polar Surface Area: 128 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 58.6±7.0 dyne/cm
Molar Volume: 389.7±7.0 cm3

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