ChemSpider 2D Image | Ethyl [(2Z)-2-{[(3-methoxy-1-methyl-1H-pyrazol-4-yl)carbonyl]imino}-6-sulfamoyl-1,3-benzothiazol-3(2H)-yl]acetate | C17H19N5O6S2

Ethyl [(2Z)-2-{[(3-methoxy-1-methyl-1H-pyrazol-4-yl)carbonyl]imino}-6-sulfamoyl-1,3-benzothiazol-3(2H)-yl]acetate

  • Molecular FormulaC17H19N5O6S2
  • Average mass453.493 Da
  • Monoisotopic mass453.077667 Da
  • ChemSpider ID39194475

  • Double-bond stereo - Double-bond stereo

More details:

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

[(2Z)-2-{[(3-Méthoxy-1-méthyl-1H-pyrazol-4-yl)carbonyl]imino}-6-sulfamoyl-1,3-benzothiazol-3(2H)-yl]acétate d'éthyle [French] [ACD/IUPAC Name]
3(2H)-Benzothiazoleacetic acid, 6-(aminosulfonyl)-2-[[(3-methoxy-1-methyl-1H-pyrazol-4-yl)carbonyl]imino]-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl [(2Z)-2-{[(3-methoxy-1-methyl-1H-pyrazol-4-yl)carbonyl]imino}-6-sulfamoyl-1,3-benzothiazol-3(2H)-yl]acetate [ACD/IUPAC Name]
Ethyl-[(2Z)-2-{[(3-methoxy-1-methyl-1H-pyrazol-4-yl)carbonyl]imino}-6-sulfamoyl-1,3-benzothiazol-3(2H)-yl]acetat [German] [ACD/IUPAC Name]
(Z)-ethyl 2-(2-((3-methoxy-1-methyl-1H-pyrazole-4-carbonyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 710.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 383.6±35.7 °C
Index of Refraction: 1.695
Molar Refractivity: 110.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.73
ACD/KOC (pH 5.5): 51.46
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.71
ACD/KOC (pH 7.4): 50.95
Polar Surface Area: 180 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 65.3±7.0 dyne/cm
Molar Volume: 288.1±7.0 cm3

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