ChemSpider 2D Image | 3-(6-Chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)-N-{5-[1-(difluoromethyl)-1H-imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl}propanamide | C18H14ClF2N5O3S

3-(6-Chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)-N-{5-[1-(difluoromethyl)-1H-imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl}propanamide

  • Molecular FormulaC18H14ClF2N5O3S
  • Average mass453.850 Da
  • Monoisotopic mass453.047394 Da
  • ChemSpider ID22116821

More details:

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

3(2H)-Benzoxazolepropanamide, 6-chloro-N-[5-[1-(difluoromethyl)-1H-imidazol-2-yl]-4-methyl-2-thiazolyl]-2-oxo- [ACD/Index Name]
3-(6-Chlor-2-oxo-1,3-benzoxazol-3(2H)-yl)-N-{5-[1-(difluormethyl)-1H-imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl}propanamid [German] [ACD/IUPAC Name]
3-(6-Chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)-N-{5-[1-(difluoromethyl)-1H-imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl}propanamide [ACD/IUPAC Name]
3-(6-Chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)-N-{5-[1-(difluorométhyl)-1H-imidazol-2-yl]-4-méthyl-1,3-thiazol-2-yl}propanamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.714
Molar Refractivity: 107.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 111.24
ACD/KOC (pH 5.5): 1014.37
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 105.72
ACD/KOC (pH 7.4): 964.10
Polar Surface Area: 118 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 59.3±7.0 dyne/cm
Molar Volume: 273.6±7.0 cm3

Click to predict properties on the Chemicalize site


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