7-{4-[(4-fluorophenoxy)acetyl]piperazine-1-sulfonyl}-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-{4-[(4-fluorophenoxy)acetyl]piperazine-1-sulfonyl}-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one
7-{4-[(4-fluorophenoxy)acetyl]piperazine-1-sulfonyl}-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0431 |
| Compound Name: | 7-{4-[(4-fluorophenoxy)acetyl]piperazine-1-sulfonyl}-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 477.51 |
| Molecular Formula: | C22 H24 F N3 O6 S |
| Smiles: | CC1C(Nc2cc(C)c(cc2O1)S(N1CCN(CC1)C(COc1ccc(cc1)F)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5894 |
| logD: | 1.5888 |
| logSw: | -2.6456 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.986 |
| InChI Key: | KFXCVCCLZMARLJ-OAHLLOKOSA-N |