ChemSpider 2D Image | 4-Bromo-N-{[4-(1-cyanocyclopentyl)phenyl]carbamothioyl}benzamide | C20H18BrN3OS

4-Bromo-N-{[4-(1-cyanocyclopentyl)phenyl]carbamothioyl}benzamide

  • Molecular FormulaC20H18BrN3OS
  • Average mass428.345 Da
  • Monoisotopic mass427.035400 Da
  • ChemSpider ID68765525

More details:

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

4-Brom-N-{[4-(1-cyancyclopentyl)phenyl]carbamothioyl}benzamid [German] [ACD/IUPAC Name]
4-Bromo-N-{[4-(1-cyanocyclopentyl)phenyl]carbamothioyl}benzamide [ACD/IUPAC Name]
4-Bromo-N-{[4-(1-cyanocyclopentyl)phényl]carbamothioyl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-bromo-N-[[[4-(1-cyanocyclopentyl)phenyl]amino]thioxomethyl]- [ACD/Index Name]
3-(4-BROMOBENZOYL)-1-[4-(1-CYANOCYCLOPENTYL)PHENYL]THIOUREA

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.685
Molar Refractivity: 108.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 776.07
ACD/KOC (pH 5.5): 4068.71
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 530.65
ACD/KOC (pH 7.4): 2782.05
Polar Surface Area: 97 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 71.7±5.0 dyne/cm
Molar Volume: 285.9±5.0 cm3

Click to predict properties on the Chemicalize site


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