ChemSpider 2D Image | 4-(4-Morpholinyl)-3-nitro-N-{[2-(propionylamino)-1,3-benzothiazol-6-yl]carbamothioyl}benzamide | C22H22N6O5S2

4-(4-Morpholinyl)-3-nitro-N-{[2-(propionylamino)-1,3-benzothiazol-6-yl]carbamothioyl}benzamide

  • Molecular FormulaC22H22N6O5S2
  • Average mass514.577 Da
  • Monoisotopic mass514.109314 Da
  • ChemSpider ID25973036

More details:

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

4-(4-Morpholinyl)-3-nitro-N-{[2-(propionylamino)-1,3-benzothiazol-6-yl]carbamothioyl}benzamid [German] [ACD/IUPAC Name]
4-(4-Morpholinyl)-3-nitro-N-{[2-(propionylamino)-1,3-benzothiazol-6-yl]carbamothioyl}benzamide [ACD/IUPAC Name]
4-(4-Morpholinyl)-3-nitro-N-{[2-(propionylamino)-1,3-benzothiazol-6-yl]carbamothioyl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-(4-morpholinyl)-3-nitro-N-[[[2-[(1-oxopropyl)amino]-6-benzothiazolyl]amino]thioxomethyl]- [ACD/Index Name]

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: 1.745
Molar Refractivity: 137.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 44.92
ACD/KOC (pH 5.5): 527.50
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 19.17
ACD/KOC (pH 7.4): 225.18
Polar Surface Area: 202 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 86.0±3.0 dyne/cm
Molar Volume: 340.2±3.0 cm3

Click to predict properties on the Chemicalize site


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