ChemSpider 2D Image | N-(3-Acetylphenyl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]acetamide | C30H30FN5O3

N-(3-Acetylphenyl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]acetamide

  • Molecular FormulaC30H30FN5O3
  • Average mass527.589 Da
  • Monoisotopic mass527.233276 Da
  • ChemSpider ID2429452

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-(3-acetylphenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]- [ACD/Index Name]
N-(3-Acetylphenyl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]acetamide [ACD/IUPAC Name]
N-(3-Acétylphényl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(4-fluorophényl)-2-oxoéthyl]acétamide [French] [ACD/IUPAC Name]
N-(3-Acetylphenyl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(4-fluorphenyl)-2-oxoethyl]acetamid [German] [ACD/IUPAC Name]

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

ASN 03798474 [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: 784.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 428.0±32.9 °C
Index of Refraction: 1.655
Molar Refractivity: 147.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 332.69
ACD/KOC (pH 5.5): 2222.68
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 332.70
ACD/KOC (pH 7.4): 2222.77
Polar Surface Area: 97 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 401.8±7.0 cm3

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