6-[4-(2-oxo-2H-1-benzopyran-3-carbonyl)piperazine-1-sulfonyl]-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-[4-(2-oxo-2H-1-benzopyran-3-carbonyl)piperazine-1-sulfonyl]-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one
6-[4-(2-oxo-2H-1-benzopyran-3-carbonyl)piperazine-1-sulfonyl]-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0781 |
| Compound Name: | 6-[4-(2-oxo-2H-1-benzopyran-3-carbonyl)piperazine-1-sulfonyl]-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 513.59 |
| Molecular Formula: | C24 H23 N3 O6 S2 |
| Smiles: | CC(C)N1C(=O)Sc2cc(ccc12)S(N1CCN(CC1)C(C1=Cc2ccccc2OC1=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3842 |
| logD: | 3.3842 |
| logSw: | -4.0328 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 84.892 |
| InChI Key: | KVXZIEJMCJSDDL-UHFFFAOYSA-N |