ChemSpider 2D Image | methyl 4-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate | C17H19N5O6S2

methyl 4-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate

  • Molecular FormulaC17H19N5O6S2
  • Average mass453.493 Da
  • Monoisotopic mass453.077667 Da
  • ChemSpider ID26253344

More details:

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

butanoic acid, 4-[[[[4-[[(6-methoxy-4-pyrimidinyl)amino]sulfonyl]phenyl]amino]thioxomethyl]amino]-4-oxo-, methyl ester
methyl 4-({[(4-{[(6-methoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)amino]carbonothioyl}amino)-4-oxobutanoate
METHYL 4-[({4-[(6-METHOXYPYRIMIDIN-4-YL)SULFAMOYL]PHENYL}CARBAMOTHIOYL)AMINO]-4-OXOBUTANOATE

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 110.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 0.80
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.56
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 189 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 78.0±3.0 dyne/cm
Molar Volume: 305.4±3.0 cm3

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