6-[4-(3,5-dimethylbenzoyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-[4-(3,5-dimethylbenzoyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
6-[4-(3,5-dimethylbenzoyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0059 |
| Compound Name: | 6-[4-(3,5-dimethylbenzoyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C20 H21 N3 O4 S2 |
| Smiles: | Cc1cc(C)cc(c1)C(N1CCN(CC1)S(c1ccc2c(c1)SC(N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0798 |
| logD: | 3.0581 |
| logSw: | -3.4116 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.553 |
| InChI Key: | XEQDWSXWIJIYCT-UHFFFAOYSA-N |