ChemSpider 2D Image | 5-Benzyl-2-({[2-(hexyloxy)benzoyl]carbamothioyl}amino)-4-methyl-3-thiophenecarboxamide | C27H31N3O3S2

5-Benzyl-2-({[2-(hexyloxy)benzoyl]carbamothioyl}amino)-4-methyl-3-thiophenecarboxamide

  • Molecular FormulaC27H31N3O3S2
  • Average mass509.683 Da
  • Monoisotopic mass509.180695 Da
  • ChemSpider ID4124031

More details:

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

3-Thiophenecarboxamide, 2-[[[[2-(hexyloxy)benzoyl]amino]thioxomethyl]amino]-4-methyl-5-(phenylmethyl)- [ACD/Index Name]
5-Benzyl-2-({[2-(hexyloxy)benzoyl]carbamothioyl}amino)-4-methyl-3-thiophencarboxamid [German] [ACD/IUPAC Name]
5-Benzyl-2-({[2-(hexyloxy)benzoyl]carbamothioyl}amino)-4-methyl-3-thiophenecarboxamide [ACD/IUPAC Name]
5-Benzyl-2-({[2-(hexyloxy)benzoyl]carbamothioyl}amino)-4-méthyl-3-thiophènecarboxamide [French] [ACD/IUPAC Name]
5-benzyl-2-[({[2-(hexyloxy)benzoyl]amino}carbonothioyl)amino]-4-methyl-3-thiophenecarboxamide
5-BENZYL-2-[({[2-(HEXYLOXY)PHENYL]FORMAMIDO}METHANETHIOYL)AMINO]-4-METHYLTHIOPHENE-3-CARBOXAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 147.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.72
ACD/LogD (pH 5.5): 6.74
ACD/BCF (pH 5.5): 78719.16
ACD/KOC (pH 5.5): 111191.36
ACD/LogD (pH 7.4): 6.71
ACD/BCF (pH 7.4): 72997.34
ACD/KOC (pH 7.4): 103109.23
Polar Surface Area: 154 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 409.0±3.0 cm3

Click to predict properties on the Chemicalize site


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