ChemSpider 2D Image | Dimethyl 5-amino-3-[({N-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]glycyl}oxy)methyl]-2,4-thiophenedicarboxylate | C15H18N4O8S2

Dimethyl 5-amino-3-[({N-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]glycyl}oxy)methyl]-2,4-thiophenedicarboxylate

  • Molecular FormulaC15H18N4O8S2
  • Average mass446.455 Da
  • Monoisotopic mass446.056610 Da
  • ChemSpider ID115192688

More details:

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

2,4-Thiophenedicarboxylic acid, 5-amino-3-[[[2-[[(1-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetyl]oxy]methyl]-, dimethyl ester [ACD/Index Name]
5-Amino-3-[({N-[(1-méthyl-1H-pyrazol-4-yl)sulfonyl]glycyl}oxy)méthyl]-2,4-thiophènedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 5-amino-3-[({N-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]glycyl}oxy)methyl]-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
Dimethyl-5-amino-3-[({N-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]glycyl}oxy)methyl]-2,4-thiophendicarboxylat [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: 678.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.9±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 102.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.26
ACD/KOC (pH 5.5): 143.74
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 5.86
ACD/KOC (pH 7.4): 116.00
Polar Surface Area: 206 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 64.9±7.0 dyne/cm
Molar Volume: 277.4±7.0 cm3

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