ChemSpider 2D Image | 2-(4-Morpholinyl)-5-nitro-N-{[2-(propionylamino)-1,3-benzothiazol-6-yl]carbamothioyl}benzamide | C22H22N6O5S2

2-(4-Morpholinyl)-5-nitro-N-{[2-(propionylamino)-1,3-benzothiazol-6-yl]carbamothioyl}benzamide

  • Molecular FormulaC22H22N6O5S2
  • Average mass514.577 Da
  • Monoisotopic mass514.109314 Da
  • ChemSpider ID23082723

More details:

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

2-(4-Morpholinyl)-5-nitro-N-{[2-(propionylamino)-1,3-benzothiazol-6-yl]carbamothioyl}benzamid [German] [ACD/IUPAC Name]
2-(4-Morpholinyl)-5-nitro-N-{[2-(propionylamino)-1,3-benzothiazol-6-yl]carbamothioyl}benzamide [ACD/IUPAC Name]
2-(4-Morpholinyl)-5-nitro-N-{[2-(propionylamino)-1,3-benzothiazol-6-yl]carbamothioyl}benzamide [French] [ACD/IUPAC Name]
2-(morpholin-4-yl)-5-nitro-N-{[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl}benzamide
2-(Morpholin-4-yl)-5-nitro-N-{[2-(propionylamino)-1,3-benzothiazol-6-yl]carbamothioyl}benzamide
Benzamide, 2-(4-morpholinyl)-5-nitro-N-[[[2-[(1-oxopropyl)amino]-6-benzothiazolyl]amino]thioxomethyl]- [ACD/Index Name]
2-morpholin-4-yl-5-nitro-N-({[2-(propionylamino)-1,3-benzothiazol-6-yl]amino}carbonothioyl)benzamide
N-{6-[3-(2-Morpholin-4-yl-5-nitro-benzoyl)-thioureido]-benzothiazol-2-yl}-propionamide

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: 2.74
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.45
ACD/KOC (pH 5.5): 379.49
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 9.62
ACD/KOC (pH 7.4): 128.37
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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