6-{4-[(2-methylphenyl)acetyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[(2-methylphenyl)acetyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
6-{4-[(2-methylphenyl)acetyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0113 |
| Compound Name: | 6-{4-[(2-methylphenyl)acetyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C20 H21 N3 O4 S2 |
| Smiles: | Cc1ccccc1CC(N1CCN(CC1)S(c1ccc2c(c1)SC(N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3315 |
| logD: | 3.3098 |
| logSw: | -3.6186 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.026 |
| InChI Key: | FIFOYFDAVHXDLY-UHFFFAOYSA-N |