6-{4-[(2-methylphenyl)acetyl]piperazine-1-sulfonyl}-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[(2-methylphenyl)acetyl]piperazine-1-sulfonyl}-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one
6-{4-[(2-methylphenyl)acetyl]piperazine-1-sulfonyl}-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0886 |
| Compound Name: | 6-{4-[(2-methylphenyl)acetyl]piperazine-1-sulfonyl}-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 473.61 |
| Molecular Formula: | C23 H27 N3 O4 S2 |
| Smiles: | CC(C)N1C(=O)Sc2cc(ccc12)S(N1CCN(CC1)C(Cc1ccccc1C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4343 |
| logD: | 4.4343 |
| logSw: | -4.3306 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.443 |
| InChI Key: | URPTUVVAEZPUCC-UHFFFAOYSA-N |