ChemSpider 2D Image | N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-2-nitro-benzamide | C19H16N6O6S2

N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-2-nitro-benzamide

  • Molecular FormulaC19H16N6O6S2
  • Average mass488.497 Da
  • Monoisotopic mass488.057281 Da
  • ChemSpider ID26253311

More details:

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

3-{4-[(6-METHOXYPYRIMIDIN-4-YL)SULFAMOYL]PHENYL}-1-(2-NITROBENZOYL)THIOUREA
benzamide, N-[[[4-[[(6-methoxy-4-pyrimidinyl)amino]sulfonyl]phenyl]amino]thioxomethyl]-2-nitro-
N-{[(4-{[(6-methoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)amino]carbonothioyl}-2-nitrobenzamide

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: 1.705
Molar Refractivity: 120.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 2.33
ACD/KOC (pH 5.5): 36.67
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.61
Polar Surface Area: 209 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 89.2±3.0 dyne/cm
Molar Volume: 310.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement