N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(3-nitrophenyl)sulfamoyl]benzamide
Chemical Structure Depiction of
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(3-nitrophenyl)sulfamoyl]benzamide
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(3-nitrophenyl)sulfamoyl]benzamide
Compound characteristics
| Compound ID: | 8013-1055 |
| Compound Name: | N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(3-nitrophenyl)sulfamoyl]benzamide |
| Molecular Weight: | 496.56 |
| Molecular Formula: | C23 H20 N4 O5 S2 |
| Smiles: | CC1CCc2c(C#N)c(NC(c3cccc(c3)S(Nc3cccc(c3)[N+]([O-])=O)(=O)=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9066 |
| logD: | 1.7944 |
| logSw: | -4.754 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.132 |
| InChI Key: | ZALBVFCZWMGWPC-CQSZACIVSA-N |