ChemSpider 2D Image | (3,5-Dimethyl-1,2-oxazol-4-yl)methyl 3-[benzyl(phenyl)sulfamoyl]-4-chlorobenzoate | C26H23ClN2O5S

(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 3-[benzyl(phenyl)sulfamoyl]-4-chlorobenzoate

  • Molecular FormulaC26H23ClN2O5S
  • Average mass510.989 Da
  • Monoisotopic mass510.101624 Da
  • ChemSpider ID1807954

More details:

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

(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 3-[benzyl(phenyl)sulfamoyl]-4-chlorobenzoate [ACD/IUPAC Name]
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl-3-[benzyl(phenyl)sulfamoyl]-4-chlorbenzoat [German] [ACD/IUPAC Name]
3-[Benzyl(phényl)sulfamoyl]-4-chlorobenzoate de (3,5-diméthyl-1,2-oxazol-4-yl)méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-chloro-3-[[phenyl(phenylmethyl)amino]sulfonyl]-, (3,5-dimethyl-4-isoxazolyl)methyl ester [ACD/Index Name]

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

ZINC03306361 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 688.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 370.0±34.3 °C
Index of Refraction: 1.628
Molar Refractivity: 133.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2510.96
ACD/KOC (pH 5.5): 9444.97
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2510.96
ACD/KOC (pH 7.4): 9444.97
Polar Surface Area: 98 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 376.9±3.0 cm3

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