ChemSpider 2D Image | 1-[4-(1,2-Benzothiazol-4-yl)phenyl]-3-(3,5-dimethylphenyl)urea | C22H19N3OS

1-[4-(1,2-Benzothiazol-4-yl)phenyl]-3-(3,5-dimethylphenyl)urea

  • Molecular FormulaC22H19N3OS
  • Average mass373.471 Da
  • Monoisotopic mass373.124878 Da
  • ChemSpider ID24809047

More details:

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

1-[4-(1,2-Benzothiazol-4-yl)phenyl]-3-(3,5-dimethylphenyl)harnstoff [German] [ACD/IUPAC Name]
1-[4-(1,2-Benzothiazol-4-yl)phenyl]-3-(3,5-dimethylphenyl)urea [ACD/IUPAC Name]
1-[4-(1,2-Benzothiazol-4-yl)phényl]-3-(3,5-diméthylphényl)urée [French] [ACD/IUPAC Name]
Urea, N-[4-(1,2-benzisothiazol-4-yl)phenyl]-N'-(3,5-dimethylphenyl)- [ACD/Index Name]
Kinome_603

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

Density: 1.3±0.1 g/cm3
Boiling Point: 442.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 221.2±28.7 °C
Index of Refraction: 1.731
Molar Refractivity: 113.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8739.79
ACD/KOC (pH 5.5): 22585.33
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 9398.55
ACD/KOC (pH 7.4): 24287.71
Polar Surface Area: 82 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 284.5±3.0 cm3

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