6-(azepane-1-sulfonyl)-3-[3-oxo-3-(piperidin-1-yl)propyl]-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-3-[3-oxo-3-(piperidin-1-yl)propyl]-1,3-benzothiazol-2(3H)-one
6-(azepane-1-sulfonyl)-3-[3-oxo-3-(piperidin-1-yl)propyl]-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | F952-0454 |
| Compound Name: | 6-(azepane-1-sulfonyl)-3-[3-oxo-3-(piperidin-1-yl)propyl]-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 451.61 |
| Molecular Formula: | C21 H29 N3 O4 S2 |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)SC(N2CCC(N1CCCCC1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.48 |
| logD: | 3.48 |
| logSw: | -3.9306 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 64.224 |
| InChI Key: | BXISIBQRWNTEHB-UHFFFAOYSA-N |