N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(4-fluorophenyl)piperazine-1-sulfonyl]benzamide
Chemical Structure Depiction of
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(4-fluorophenyl)piperazine-1-sulfonyl]benzamide
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(4-fluorophenyl)piperazine-1-sulfonyl]benzamide
Compound characteristics
| Compound ID: | 8013-1022 |
| Compound Name: | N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(4-fluorophenyl)piperazine-1-sulfonyl]benzamide |
| Molecular Weight: | 538.66 |
| Molecular Formula: | C27 H27 F N4 O3 S2 |
| Smiles: | CC1CCc2c(C#N)c(NC(c3cccc(c3)S(N3CCN(CC3)c3ccc(cc3)F)(=O)=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1613 |
| logD: | 1.8981 |
| logSw: | -5.1552 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.072 |
| InChI Key: | BJELQZSTIYWDIB-GOSISDBHSA-N |