3-ethyl-6-{4-[4-(trifluoromethyl)benzoyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
3-ethyl-6-{4-[4-(trifluoromethyl)benzoyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
3-ethyl-6-{4-[4-(trifluoromethyl)benzoyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0444 |
| Compound Name: | 3-ethyl-6-{4-[4-(trifluoromethyl)benzoyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 499.53 |
| Molecular Formula: | C21 H20 F3 N3 O4 S2 |
| Smiles: | CCN1C(=O)Sc2cc(ccc12)S(N1CCN(CC1)C(c1ccc(cc1)C(F)(F)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8436 |
| logD: | 3.8436 |
| logSw: | -4.0541 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.975 |
| InChI Key: | VSIXKYZBAGCRER-UHFFFAOYSA-N |