ChemSpider 2D Image | Ethyl 2-[({3-amino-5-[(2-methoxy-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}acetyl)amino]-1,3-benzothiazole-6-carboxylate | C17H18N6O5S2

Ethyl 2-[({3-amino-5-[(2-methoxy-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}acetyl)amino]-1,3-benzothiazole-6-carboxylate

  • Molecular FormulaC17H18N6O5S2
  • Average mass450.492 Da
  • Monoisotopic mass450.078003 Da
  • ChemSpider ID23398572

More details:

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

2-[(2-{3-Amino-5-[(2-méthoxy-2-oxoéthyl)sulfanyl]-4H-1,2,4-triazol-4-yl}acétyl)amino]-1,3-benzothiazole-6-carboxylate d'éthyle [French] [ACD/IUPAC Name]
6-Benzothiazolecarboxylic acid, 2-[[2-[3-amino-5-[(2-methoxy-2-oxoethyl)thio]-4H-1,2,4-triazol-4-yl]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-[({3-amino-5-[(2-methoxy-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}acetyl)amino]-1,3-benzothiazole-6-carboxylate [ACD/IUPAC Name]
Ethyl-2-[({3-amino-5-[(2-methoxy-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}acetyl)amino]-1,3-benzothiazol-6-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.735
Molar Refractivity: 111.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.95
ACD/KOC (pH 5.5): 263.60
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 13.63
ACD/KOC (pH 7.4): 212.01
Polar Surface Area: 205 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 69.6±7.0 dyne/cm
Molar Volume: 279.1±7.0 cm3

Click to predict properties on the Chemicalize site


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