ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]-N-(tetrahydro-2-furanylmethyl)acetamide | C28H35N5O5

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

  • Molecular FormulaC28H35N5O5
  • Average mass521.608 Da
  • Monoisotopic mass521.263794 Da
  • ChemSpider ID2432969

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-[(tetrahydro-2-furanyl)methyl]- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]-N-(tetrahydro-2-furanylmethyl)acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]-N-(tetrahydro-2-furanylmethyl)acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3-hydroxy-4-méthoxyphényl)-2-oxoéthyl]-N-(tétrahydro-2-furanylméthyl)acétamide [French] [ACD/IUPAC Name]

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

ASN 04059873 [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: 811.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.0±3.0 kJ/mol
Flash Point: 444.4±34.3 °C
Index of Refraction: 1.665
Molar Refractivity: 141.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.40
ACD/KOC (pH 5.5): 716.32
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 67.82
ACD/KOC (pH 7.4): 710.31
Polar Surface Area: 119 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 379.8±7.0 cm3

Click to predict properties on the Chemicalize site


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