6-[4-(2,4-dimethylbenzoyl)piperazine-1-sulfonyl]-3-methyl-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-[4-(2,4-dimethylbenzoyl)piperazine-1-sulfonyl]-3-methyl-1,3-benzothiazol-2(3H)-one
6-[4-(2,4-dimethylbenzoyl)piperazine-1-sulfonyl]-3-methyl-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0232 |
| Compound Name: | 6-[4-(2,4-dimethylbenzoyl)piperazine-1-sulfonyl]-3-methyl-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C21 H23 N3 O4 S2 |
| Smiles: | Cc1ccc(C(N2CCN(CC2)S(c2ccc3c(c2)SC(N3C)=O)(=O)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.5767 |
| logD: | 3.5767 |
| logSw: | -3.8334 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 64.016 |
| InChI Key: | YNYYIVSZUWMIPP-UHFFFAOYSA-N |