ChemSpider 2D Image | N-(6-Methoxy-1,3-benzothiazol-2-yl)-N~2~-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]methioninamide | C21H22N4O6S3

N-(6-Methoxy-1,3-benzothiazol-2-yl)-N2-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]methioninamide

  • Molecular FormulaC21H22N4O6S3
  • Average mass522.618 Da
  • Monoisotopic mass522.070129 Da
  • ChemSpider ID2847314

More details:

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

Butanamide, 2-[[(2,3-dihydro-3-methyl-2-oxo-6-benzoxazolyl)sulfonyl]amino]-N-(6-methoxy-2-benzothiazolyl)-4-(methylthio)- [ACD/Index Name]
N-(6-Methoxy-1,3-benzothiazol-2-yl)-N2-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]methioninamid [German] [ACD/IUPAC Name]
N-(6-Methoxy-1,3-benzothiazol-2-yl)-N2-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]methioninamide [ACD/IUPAC Name]
N-(6-Méthoxy-1,3-benzothiazol-2-yl)-N2-[(3-méthyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]méthioninamide [French] [ACD/IUPAC Name]
N1-(6-methoxy-1,3-benzothiazol-2-yl)-N2-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]methioninamide

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: 1.676
Molar Refractivity: 131.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 113.94
ACD/KOC (pH 5.5): 1031.23
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 90.97
ACD/KOC (pH 7.4): 823.38
Polar Surface Area: 189 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 70.1±3.0 dyne/cm
Molar Volume: 349.9±3.0 cm3

Click to predict properties on the Chemicalize site


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