N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-phenylpiperazine-1-sulfonyl)benzamide
Chemical Structure Depiction of
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-phenylpiperazine-1-sulfonyl)benzamide
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-phenylpiperazine-1-sulfonyl)benzamide
Compound characteristics
| Compound ID: | 8013-1056 |
| Compound Name: | N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-phenylpiperazine-1-sulfonyl)benzamide |
| Molecular Weight: | 520.67 |
| Molecular Formula: | C27 H28 N4 O3 S2 |
| Smiles: | CC1CCc2c(C#N)c(NC(c3cccc(c3)S(N3CCN(CC3)c3ccccc3)(=O)=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0107 |
| logD: | 1.7475 |
| logSw: | -4.7631 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.072 |
| InChI Key: | ZXKILYLSFAYJRX-LJQANCHMSA-N |