7-{4-[(3-fluorophenyl)acetyl]piperazine-1-sulfonyl}-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-{4-[(3-fluorophenyl)acetyl]piperazine-1-sulfonyl}-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one
7-{4-[(3-fluorophenyl)acetyl]piperazine-1-sulfonyl}-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0405 |
| Compound Name: | 7-{4-[(3-fluorophenyl)acetyl]piperazine-1-sulfonyl}-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 461.51 |
| Molecular Formula: | C22 H24 F N3 O5 S |
| Smiles: | CC1C(Nc2cc(C)c(cc2O1)S(N1CCN(CC1)C(Cc1cccc(c1)F)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2262 |
| logD: | 2.2255 |
| logSw: | -2.8608 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.487 |
| InChI Key: | CRQQGNQFEZUEAJ-OAHLLOKOSA-N |