ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-{2-(benzylamino)-1-[4-(4-morpholinyl)phenyl]-2-oxoethyl}-N-(4-methylphenyl)acetamide | C34H34N6O3

2-(1H-Benzotriazol-1-yl)-N-{2-(benzylamino)-1-[4-(4-morpholinyl)phenyl]-2-oxoethyl}-N-(4-methylphenyl)acetamide

  • Molecular FormulaC34H34N6O3
  • Average mass574.672 Da
  • Monoisotopic mass574.269226 Da
  • ChemSpider ID2433038

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-(4-methylphenyl)-N-[1-[4-(4-morpholinyl)phenyl]-2-oxo-2-[(phenylmethyl)amino]ethyl]- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-{2-(benzylamino)-1-[4-(4-morpholinyl)phenyl]-2-oxoethyl}-N-(4-methylphenyl)acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-{2-(benzylamino)-1-[4-(4-morpholinyl)phenyl]-2-oxoethyl}-N-(4-methylphenyl)acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-{2-(benzylamino)-1-[4-(4-morpholinyl)phényl]-2-oxoéthyl}-N-(4-méthylphényl)acétamide [French] [ACD/IUPAC Name]

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

ASN 04060258 [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: 851.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.8±3.0 kJ/mol
Flash Point: 469.0±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 167.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1227.31
ACD/KOC (pH 5.5): 5556.25
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1307.23
ACD/KOC (pH 7.4): 5918.07
Polar Surface Area: 93 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 454.5±7.0 cm3

Click to predict properties on the Chemicalize site


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