3-(azepane-1-sulfonyl)-N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
3-(azepane-1-sulfonyl)-N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
3-(azepane-1-sulfonyl)-N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | G856-2406 |
| Compound Name: | 3-(azepane-1-sulfonyl)-N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 534.65 |
| Molecular Formula: | C23 H23 F N4 O4 S3 |
| Smiles: | C1CCCN(CC1)S(c1cccc(c1)C(Nc1nnc(SCC(c2ccc(cc2)F)=O)s1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7177 |
| logD: | 4.5419 |
| logSw: | -4.6601 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.253 |
| InChI Key: | WLCNKLPIVIPRSX-UHFFFAOYSA-N |