6-{4-[(3,4-dimethoxyphenyl)acetyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[(3,4-dimethoxyphenyl)acetyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzothiazol-2(3H)-one
6-{4-[(3,4-dimethoxyphenyl)acetyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0205 |
| Compound Name: | 6-{4-[(3,4-dimethoxyphenyl)acetyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 491.58 |
| Molecular Formula: | C22 H25 N3 O6 S2 |
| Smiles: | CN1C(=O)Sc2cc(ccc12)S(N1CCN(CC1)C(Cc1ccc(c(c1)OC)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4499 |
| logD: | 2.4499 |
| logSw: | -2.8249 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 78.749 |
| InChI Key: | KKEQLFUZUBYJFR-UHFFFAOYSA-N |