ChemSpider 2D Image | 2-({[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | C18H16N4O4S3

2-({[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

  • Molecular FormulaC18H16N4O4S3
  • Average mass448.539 Da
  • Monoisotopic mass448.033356 Da
  • ChemSpider ID30550699

More details:

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

2-({[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxamid [German] [ACD/IUPAC Name]
2-({[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide [ACD/IUPAC Name]
2-({2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]acétyl}amino)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxamide [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxamide, 4,5,6,7-tetrahydro-2-[[2-[(6-nitro-2-benzothiazolyl)thio]acetyl]amino]- [ACD/Index Name]

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: 1.754
Molar Refractivity: 115.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 453.67
ACD/KOC (pH 5.5): 2775.21
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 453.66
ACD/KOC (pH 7.4): 2775.19
Polar Surface Area: 213 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 92.1±5.0 dyne/cm
Molar Volume: 281.2±5.0 cm3

Click to predict properties on the Chemicalize site


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