ChemSpider 2D Image | 3-Chloro-N-({2-[4-(diethylamino)-2-methylphenyl]-6-methyl-2H-benzotriazol-5-yl}carbamothioyl)-4-methylbenzamide | C27H29ClN6OS

3-Chloro-N-({2-[4-(diethylamino)-2-methylphenyl]-6-methyl-2H-benzotriazol-5-yl}carbamothioyl)-4-methylbenzamide

  • Molecular FormulaC27H29ClN6OS
  • Average mass521.077 Da
  • Monoisotopic mass520.181213 Da
  • ChemSpider ID68832020

More details:

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

3-Chlor-N-({2-[4-(diethylamino)-2-methylphenyl]-6-methyl-2H-benzotriazol-5-yl}carbamothioyl)-4-methylbenzamid [German] [ACD/IUPAC Name]
3-Chloro-N-({2-[4-(diethylamino)-2-methylphenyl]-6-methyl-2H-benzotriazol-5-yl}carbamothioyl)-4-methylbenzamide [ACD/IUPAC Name]
3-Chloro-N-({2-[4-(diéthylamino)-2-méthylphényl]-6-méthyl-2H-benzotriazol-5-yl}carbamothioyl)-4-méthylbenzamide [French] [ACD/IUPAC Name]
Benzamide, 3-chloro-N-[[[2-[4-(diethylamino)-2-methylphenyl]-6-methyl-2H-1,2,3-benzotriazol-5-yl]amino]thioxomethyl]-4-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.658
Molar Refractivity: 148.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.02
ACD/LogD (pH 5.5): 6.07
ACD/BCF (pH 5.5): 23780.62
ACD/KOC (pH 5.5): 46594.43
ACD/LogD (pH 7.4): 5.96
ACD/BCF (pH 7.4): 18452.72
ACD/KOC (pH 7.4): 36155.24
Polar Surface Area: 107 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 404.0±7.0 cm3

Click to predict properties on the Chemicalize site


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