Found 99 results

Search term: MF = 'C_{29}H_{31}N_{7}O_{4}S'
ChemSpider 2D Image | N-{[2-(4-Butylphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-2-(4-morpholinyl)-5-nitrobenzamide | C29H31N7O4S

N-{[2-(4-Butylphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-2-(4-morpholinyl)-5-nitrobenzamide

  • Molecular FormulaC29H31N7O4S
  • Average mass573.666 Da
  • Monoisotopic mass573.215820 Da
  • ChemSpider ID12719845

More details:

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

Benzamide, N-[[[2-(4-butylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]amino]thioxomethyl]-2-(4-morpholinyl)-5-nitro- [ACD/Index Name]
N-{[2-(4-Butylphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-2-(4-morpholinyl)-5-nitrobenzamid [German] [ACD/IUPAC Name]
N-{[2-(4-Butylphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-2-(4-morpholinyl)-5-nitrobenzamide [ACD/IUPAC Name]
N-{[2-(4-Butylphényl)-6-méthyl-2H-benzotriazol-5-yl]carbamothioyl}-2-(4-morpholinyl)-5-nitrobenzamide [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.694
Molar Refractivity: 158.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 6.96
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3385.54
ACD/KOC (pH 5.5): 11626.33
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1283.79
ACD/KOC (pH 7.4): 4408.69
Polar Surface Area: 162 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 412.5±7.0 cm3

Click to predict properties on the Chemicalize site


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