2,6-dimethyl-7-{4-[2-(trifluoromethyl)benzoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2,6-dimethyl-7-{4-[2-(trifluoromethyl)benzoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
2,6-dimethyl-7-{4-[2-(trifluoromethyl)benzoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0433 |
| Compound Name: | 2,6-dimethyl-7-{4-[2-(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: | CC1C(Nc2cc(C)c(cc2O1)S(N1CCN(CC1)C(c1ccccc1C(F)(F)F)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3849 |
| logD: | 2.3842 |
| logSw: | -3.0764 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.014 |
| InChI Key: | HBILJKFVBSANEO-CQSZACIVSA-N |