4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(piperidine-1-sulfonyl)benzamide
Chemical Structure Depiction of
4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(piperidine-1-sulfonyl)benzamide
4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(piperidine-1-sulfonyl)benzamide
Compound characteristics
| Compound ID: | 8004-3184 |
| Compound Name: | 4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(piperidine-1-sulfonyl)benzamide |
| Molecular Weight: | 508.45 |
| Molecular Formula: | C21 H22 Br N3 O3 S2 |
| Smiles: | C1CCN(CC1)S(c1cc(ccc1[Br])C(Nc1c(C#N)c2CCCCc2s1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5341 |
| logD: | 0.3316 |
| logSw: | -4.3901 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.812 |
| InChI Key: | GQWAFLPZZDJXRO-UHFFFAOYSA-N |