ChemSpider 2D Image | N-[(3-Bromophenyl)carbamothioyl]-2-(4-isobutylphenyl)propanamide | C20H23BrN2OS

N-[(3-Bromophenyl)carbamothioyl]-2-(4-isobutylphenyl)propanamide

  • Molecular FormulaC20H23BrN2OS
  • Average mass419.378 Da
  • Monoisotopic mass418.071442 Da
  • ChemSpider ID21128216

More details:

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

Benzeneacetamide, N-[[(3-bromophenyl)amino]thioxomethyl]-α-methyl-4-(2-methylpropyl)- [ACD/Index Name]
N-[(3-Bromophenyl)carbamothioyl]-2-(4-isobutylphenyl)propanamide [ACD/IUPAC Name]
N-[(3-Bromophényl)carbamothioyl]-2-(4-isobutylphényl)propanamide [French] [ACD/IUPAC Name]
N-[(3-Bromphenyl)carbamothioyl]-2-(4-isobutylphenyl)propanamid [German] [ACD/IUPAC Name]
1-(3-BROMOPHENYL)-3-{2-[4-(2-METHYLPROPYL)PHENYL]PROPANOYL}THIOUREA
benzeneacetamide, N-[[(3-bromophenyl)amino]thioxomethyl]-a-methyl-4-(2-methylpropyl)-
N-{[(3-bromophenyl)amino]carbonothioyl}-2-(4-isobutylphenyl)propanamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 535.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 277.3±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 110.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.66
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 4.07
ACD/KOC (pH 5.5): 10.46
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 2.89
ACD/KOC (pH 7.4): 7.45
Polar Surface Area: 84 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 40.0±7.0 dyne/cm
Molar Volume: 322.8±7.0 cm3

Click to predict properties on the Chemicalize site


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