ChemSpider 2D Image | 2-(2H-Benzotriazol-2-yl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide | C33H38FN5O4

2-(2H-Benzotriazol-2-yl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

  • Molecular FormulaC33H38FN5O4
  • Average mass587.684 Da
  • Monoisotopic mass587.290771 Da
  • ChemSpider ID2443083

More details:

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

2-(2H-Benzotriazol-2-yl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide [ACD/IUPAC Name]
2-(2H-Benzotriazol-2-yl)-N-[2-(cyclohexylamino)-1-(4-fluorophényl)-2-oxoéthyl]-N-[2-(3,4-diméthoxyphényl)éthyl]propanamide [French] [ACD/IUPAC Name]
2-(2H-Benzotriazol-2-yl)-N-[2-(cyclohexylamino)-1-(4-fluorphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamid [German] [ACD/IUPAC Name]
2H-1,2,3-Benzotriazole-2-acetamide, N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-α-methyl- [ACD/Index Name]

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

ASN 04887005 [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.619
Molar Refractivity: 162.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.68
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 5012.76
ACD/KOC (pH 5.5): 15491.93
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 5012.83
ACD/KOC (pH 7.4): 15492.15
Polar Surface Area: 99 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 463.8±7.0 cm3

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