6-[4-(3,5-dimethylbenzoyl)piperazine-1-sulfonyl]-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-[4-(3,5-dimethylbenzoyl)piperazine-1-sulfonyl]-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one
6-[4-(3,5-dimethylbenzoyl)piperazine-1-sulfonyl]-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0829 |
| Compound Name: | 6-[4-(3,5-dimethylbenzoyl)piperazine-1-sulfonyl]-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 473.61 |
| Molecular Formula: | C23 H27 N3 O4 S2 |
| Smiles: | CC(C)N1C(=O)Sc2cc(ccc12)S(N1CCN(CC1)C(c1cc(C)cc(C)c1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1825 |
| logD: | 4.1825 |
| logSw: | -4.2844 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.971 |
| InChI Key: | STJBPAGEFPMWFW-UHFFFAOYSA-N |