2-ethyl-6-{4-[4-(trifluoromethyl)benzoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-ethyl-6-{4-[4-(trifluoromethyl)benzoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
2-ethyl-6-{4-[4-(trifluoromethyl)benzoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0438 |
| Compound Name: | 2-ethyl-6-{4-[4-(trifluoromethyl)benzoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 497.49 |
| Molecular Formula: | C22 H22 F3 N3 O5 S |
| Smiles: | CCC1C(Nc2cc(ccc2O1)S(N1CCN(CC1)C(c1ccc(cc1)C(F)(F)F)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0374 |
| logD: | 3.037 |
| logSw: | -3.5495 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.209 |
| InChI Key: | KUEADKJQTWLNJM-GOSISDBHSA-N |