6-[4-(azepane-1-carbonyl)piperidine-1-sulfonyl]-3-methyl-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-[4-(azepane-1-carbonyl)piperidine-1-sulfonyl]-3-methyl-1,3-benzothiazol-2(3H)-one
6-[4-(azepane-1-carbonyl)piperidine-1-sulfonyl]-3-methyl-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L306-0454 |
| Compound Name: | 6-[4-(azepane-1-carbonyl)piperidine-1-sulfonyl]-3-methyl-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 437.58 |
| Molecular Formula: | C20 H27 N3 O4 S2 |
| Smiles: | CN1C(=O)Sc2cc(ccc12)S(N1CCC(CC1)C(N1CCCCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2315 |
| logD: | 3.2315 |
| logSw: | -3.6004 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 64.539 |
| InChI Key: | BOZOOPMIKINLMP-UHFFFAOYSA-N |