ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]-N-phenylacetamide | C29H31N5O4

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

  • Molecular FormulaC29H31N5O4
  • Average mass513.588 Da
  • Monoisotopic mass513.237610 Da
  • ChemSpider ID2432940

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-phenyl- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]-N-phenylacetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]-N-phenylacetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3-hydroxy-4-méthoxyphényl)-2-oxoéthyl]-N-phénylacétamide [French] [ACD/IUPAC Name]

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

ASN 04059835 [DBID]
ZINC00906169 [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: 792.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 433.3±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 144.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 145.52
ACD/KOC (pH 5.5): 1229.75
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 144.15
ACD/KOC (pH 7.4): 1218.11
Polar Surface Area: 110 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 389.4±7.0 cm3

Click to predict properties on the Chemicalize site


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