ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxybenzyl)acetamide | C31H35N5O5

2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxybenzyl)acetamide

  • Molecular FormulaC31H35N5O5
  • Average mass557.640 Da
  • Monoisotopic mass557.263794 Da
  • ChemSpider ID2432964

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[2-(cyclohexylamino)-1-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxybenzyl)acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxybenzyl)acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3-hydroxy-4-méthoxyphényl)-2-oxoéthyl]-N-(4-méthoxybenzyl)acétamide [French] [ACD/IUPAC Name]

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

ASN 04059868 [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: 843.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.8±3.0 kJ/mol
Flash Point: 464.0±34.3 °C
Index of Refraction: 1.645
Molar Refractivity: 154.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 360.40
ACD/KOC (pH 5.5): 2353.58
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 357.35
ACD/KOC (pH 7.4): 2333.67
Polar Surface Area: 119 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 427.0±7.0 cm3

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