ChemSpider 2D Image | N-({2-[4-(Diethylamino)phenyl]-6-methyl-2H-benzotriazol-5-yl}carbamothioyl)-3-ethoxybenzamide | C27H30N6O2S

N-({2-[4-(Diethylamino)phenyl]-6-methyl-2H-benzotriazol-5-yl}carbamothioyl)-3-ethoxybenzamide

  • Molecular FormulaC27H30N6O2S
  • Average mass502.631 Da
  • Monoisotopic mass502.215088 Da
  • ChemSpider ID3006326

More details:

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

Benzamide, N-[[[2-[4-(diethylamino)phenyl]-6-methyl-2H-1,2,3-benzotriazol-5-yl]amino]thioxomethyl]-3-ethoxy- [ACD/Index Name]
N-({2-[4-(Diethylamino)phenyl]-6-methyl-2H-benzotriazol-5-yl}carbamothioyl)-3-ethoxybenzamid [German] [ACD/IUPAC Name]
N-({2-[4-(Diethylamino)phenyl]-6-methyl-2H-benzotriazol-5-yl}carbamothioyl)-3-ethoxybenzamide [ACD/IUPAC Name]
N-({2-[4-(Diéthylamino)phényl]-6-méthyl-2H-benzotriazol-5-yl}carbamothioyl)-3-éthoxybenzamide [French] [ACD/IUPAC Name]
1-[2-(4-Diethylamino-phenyl)-6-methyl-2H-benzotriazol-5-yl]-3-(3-ethoxy-benzoyl)-thiourea

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

ZINC04122945 [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 145.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.00
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3181.83
ACD/KOC (pH 5.5): 10800.76
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3153.54
ACD/KOC (pH 7.4): 10704.74
Polar Surface Area: 116 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 402.0±7.0 cm3

Click to predict properties on the Chemicalize site


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