ChemSpider 2D Image | 4-Bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(1-piperidinylsulfonyl)benzamide | C21H22BrN3O3S2

4-Bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(1-piperidinylsulfonyl)benzamide

  • Molecular FormulaC21H22BrN3O3S2
  • Average mass508.452 Da
  • Monoisotopic mass507.028595 Da
  • ChemSpider ID939389

More details:

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

4-Brom-N-(3-cyan-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(1-piperidinylsulfonyl)benzamid [German] [ACD/IUPAC Name]
4-Bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(1-piperidinylsulfonyl)benzamide [ACD/IUPAC Name]
4-Bromo-N-(3-cyano-4,5,6,7-tétrahydro-1-benzothiophén-2-yl)-3-(1-pipéridinylsulfonyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-3-(1-piperidinylsulfonyl)- [ACD/Index Name]
[4-bromo-3-(piperidylsulfonyl)phenyl]-N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))carboxamide
4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(piperidin-1-ylsulfonyl)benzamide
4-Bromo-N-(3-cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-3-(piperidine-1-sulfonyl)-benzamide

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

A0711/0033184 [DBID]
BAS 00729819 [DBID]
ZINC00827238 [DBID]

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: 1.686
Molar Refractivity: 120.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2613.91
ACD/KOC (pH 5.5): 9720.56
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2613.62
ACD/KOC (pH 7.4): 9719.51
Polar Surface Area: 127 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 76.4±5.0 dyne/cm
Molar Volume: 316.9±5.0 cm3

Click to predict properties on the Chemicalize site


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