ChemSpider 2D Image | 2-(2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(4-fluorobenzyl)acetamido)-2-(cyclohex-3-enyl)-N-(4-methoxyphenyl)acetamide | C30H30FN5O3

2-(2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(4-fluorobenzyl)acetamido)-2-(cyclohex-3-enyl)-N-(4-methoxyphenyl)acetamide

  • Molecular FormulaC30H30FN5O3
  • Average mass527.589 Da
  • Monoisotopic mass527.233276 Da
  • ChemSpider ID3778787

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[1-(3-cyclohexen-1-yl)-2-[(4-methoxyphenyl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-{1-(3-cyclohexen-1-yl)-2-[(4-methoxyphenyl)amino]-2-oxoethyl}-N-(4-fluorbenzyl)acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-{1-(3-cyclohexen-1-yl)-2-[(4-methoxyphenyl)amino]-2-oxoethyl}-N-(4-fluorobenzyl)acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-{1-(3-cyclohexén-1-yl)-2-[(4-méthoxyphényl)amino]-2-oxoéthyl}-N-(4-fluorobenzyl)acétamide [French] [ACD/IUPAC Name]
2-(2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(4-fluorobenzyl)acetamido)-2-(cyclohex-3-enyl)-N-(4-methoxyphenyl)acetamide
2-(1H-benzotriazol-1-yl)-N-{1-(cyclohex-3-en-1-yl)-2-[(4-methoxyphenyl)amino]-2-oxoethyl}-N-(4-fluorobenzyl)acetamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 769.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 419.1±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 147.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2279.28
ACD/KOC (pH 5.5): 8812.43
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2279.48
ACD/KOC (pH 7.4): 8813.20
Polar Surface Area: 89 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 411.0±7.0 cm3

Click to predict properties on the Chemicalize site


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