3-(propan-2-yl)-6-{4-[2-(trifluoromethyl)benzoyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
3-(propan-2-yl)-6-{4-[2-(trifluoromethyl)benzoyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
3-(propan-2-yl)-6-{4-[2-(trifluoromethyl)benzoyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0917 |
| Compound Name: | 3-(propan-2-yl)-6-{4-[2-(trifluoromethyl)benzoyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 513.56 |
| Molecular Formula: | C22 H22 F3 N3 O4 S2 |
| Smiles: | CC(C)N1C(=O)Sc2cc(ccc12)S(N1CCN(CC1)C(c1ccccc1C(F)(F)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0038 |
| logD: | 4.0038 |
| logSw: | -4.2877 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.971 |
| InChI Key: | COQOFDLCNWQMOS-UHFFFAOYSA-N |