ChemSpider 2D Image | 4-Chloro-N-cyclohexyl-N-(2-{(4-fluorobenzyl)[(3-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-3-nitrobenzamide | C28H29ClFN3O4S

4-Chloro-N-cyclohexyl-N-(2-{(4-fluorobenzyl)[(3-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-3-nitrobenzamide

  • Molecular FormulaC28H29ClFN3O4S
  • Average mass558.064 Da
  • Monoisotopic mass557.155151 Da
  • ChemSpider ID3394746

More details:

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

4-Chlor-N-cyclohexyl-N-(2-{(4-fluorbenzyl)[(3-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-3-nitrobenzamid [German] [ACD/IUPAC Name]
4-Chloro-N-cyclohexyl-N-(2-{(4-fluorobenzyl)[(3-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-3-nitrobenzamide [ACD/IUPAC Name]
4-Chloro-N-cyclohexyl-N-(2-{(4-fluorobenzyl)[(3-méthyl-2-thiényl)méthyl]amino}-2-oxoéthyl)-3-nitrobenzamide [French] [ACD/IUPAC Name]
Benzamide, 4-chloro-N-cyclohexyl-N-[2-[[(4-fluorophenyl)methyl][(3-methyl-2-thienyl)methyl]amino]-2-oxoethyl]-3-nitro- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 737.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 399.7±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 146.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 5.62
ACD/BCF (pH 5.5): 10911.16
ACD/KOC (pH 5.5): 27033.18
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 10911.16
ACD/KOC (pH 7.4): 27033.18
Polar Surface Area: 115 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 408.8±5.0 cm3

Click to predict properties on the Chemicalize site


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