ChemSpider 2D Image | Ethyl 2-{[(1,2-benzoxazol-3-ylmethyl)sulfonyl]amino}-1,3-thiazole-4-carboxylate | C14H13N3O5S2

Ethyl 2-{[(1,2-benzoxazol-3-ylmethyl)sulfonyl]amino}-1,3-thiazole-4-carboxylate

  • Molecular FormulaC14H13N3O5S2
  • Average mass367.400 Da
  • Monoisotopic mass367.029663 Da
  • ChemSpider ID30767025

More details:

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

2-{[(1,2-Benzoxazol-3-ylméthyl)sulfonyl]amino}-1,3-thiazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Thiazolecarboxylic acid, 2-[[(1,2-benzisoxazol-3-ylmethyl)sulfonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-{[(1,2-benzoxazol-3-ylmethyl)sulfonyl]amino}-1,3-thiazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-2-{[(1,2-benzoxazol-3-ylmethyl)sulfonyl]amino}-1,3-thiazol-4-carboxylat [German] [ACD/IUPAC Name]
1797026-59-5 [RN]
ethyl 2-(benzo[d]isoxazol-3-ylmethylsulfonamido)thiazole-4-carboxylate
ethyl 2-[(1,2-benzoxazol-3-yl)methanesulfonamido]-1,3-thiazole-4-carboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 582.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 305.9±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 88.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 6.99
ACD/KOC (pH 5.5): 118.23
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.32
Polar Surface Area: 148 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 73.1±3.0 dyne/cm
Molar Volume: 237.9±3.0 cm3

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