N-(2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)ethanesulfonamide
Chemical Structure Depiction of
N-(2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)ethanesulfonamide
N-(2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)ethanesulfonamide
Compound characteristics
| Compound ID: | M070-1671 |
| Compound Name: | N-(2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)ethanesulfonamide |
| Molecular Weight: | 413.58 |
| Molecular Formula: | C17 H23 N3 O3 S3 |
| Smiles: | CCS(Nc1ccc2c(c1)sc(n2)SCC(N1CCCCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7164 |
| logD: | 3.7026 |
| logSw: | -3.7846 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.32 |
| InChI Key: | LGMYTRWRTOBRHJ-UHFFFAOYSA-N |