N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-3-(piperidine-1-sulfonyl)benzamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-3-(piperidine-1-sulfonyl)benzamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-3-(piperidine-1-sulfonyl)benzamide
Compound characteristics
| Compound ID: | 8001-7752 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-3-(piperidine-1-sulfonyl)benzamide |
| Molecular Weight: | 443.59 |
| Molecular Formula: | C22 H25 N3 O3 S2 |
| Smiles: | Cc1ccc(cc1S(N1CCCCC1)(=O)=O)C(Nc1c(C#N)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2956 |
| logD: | 0.9322 |
| logSw: | -4.3103 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.812 |
| InChI Key: | OYTYDDPYNJLYBU-UHFFFAOYSA-N |