ChemSpider 2D Image | N-{[2-(Butyrylamino)-1,3-benzothiazol-6-yl]carbamothioyl}-2-(4-morpholinyl)-5-nitrobenzamide | C23H24N6O5S2

N-{[2-(Butyrylamino)-1,3-benzothiazol-6-yl]carbamothioyl}-2-(4-morpholinyl)-5-nitrobenzamide

  • Molecular FormulaC23H24N6O5S2
  • Average mass528.604 Da
  • Monoisotopic mass528.124939 Da
  • ChemSpider ID4162826

More details:

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

Benzamide, 2-(4-morpholinyl)-5-nitro-N-[[[2-[(1-oxobutyl)amino]-6-benzothiazolyl]amino]thioxomethyl]- [ACD/Index Name]
N-{[2-(Butyrylamino)-1,3-benzothiazol-6-yl]carbamothioyl}-2-(4-morpholinyl)-5-nitrobenzamid [German] [ACD/IUPAC Name]
N-{[2-(Butyrylamino)-1,3-benzothiazol-6-yl]carbamothioyl}-2-(4-morpholinyl)-5-nitrobenzamide [ACD/IUPAC Name]
N-{[2-(Butyrylamino)-1,3-benzothiazol-6-yl]carbamothioyl}-2-(4-morpholinyl)-5-nitrobenzamide [French] [ACD/IUPAC Name]
N-{[2-(Butyrylamino)-1,3-benzothiazol-6-yl]carbamothioyl}-2-(morpholin-4-yl)-5-nitrobenzamide
N-({[2-(butyrylamino)-1,3-benzothiazol-6-yl]amino}carbonothioyl)-2-(4-morpholinyl)-5-nitrobenzamide
N-({[2-(butyrylamino)-1,3-benzothiazol-6-yl]amino}carbonothioyl)-2-morpholin-4-yl-5-nitrobenzamide
N-{[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl}-2-(morpholin-4-yl)-5-nitrobenzamide
N-{6-[3-(2-Morpholin-4-yl-5-nitro-benzoyl)-thioureido]-benzothiazol-2-yl}-butyramide

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: 1.731
Molar Refractivity: 142.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 59.88
ACD/KOC (pH 5.5): 646.57
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 20.29
ACD/KOC (pH 7.4): 219.10
Polar Surface Area: 202 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 82.8±3.0 dyne/cm
Molar Volume: 356.7±3.0 cm3

Click to predict properties on the Chemicalize site


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