6-{4-[(2-chloro-6-fluorophenyl)acetyl]piperazine-1-sulfonyl}-2-ethyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-{4-[(2-chloro-6-fluorophenyl)acetyl]piperazine-1-sulfonyl}-2-ethyl-2H-1,4-benzoxazin-3(4H)-one
6-{4-[(2-chloro-6-fluorophenyl)acetyl]piperazine-1-sulfonyl}-2-ethyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0394 |
| Compound Name: | 6-{4-[(2-chloro-6-fluorophenyl)acetyl]piperazine-1-sulfonyl}-2-ethyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 495.96 |
| Molecular Formula: | C22 H23 Cl F N3 O5 S |
| Smiles: | CCC1C(Nc2cc(ccc2O1)S(N1CCN(CC1)C(Cc1c(cccc1[Cl])F)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1057 |
| logD: | 3.1053 |
| logSw: | -3.5303 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.681 |
| InChI Key: | SVGCVOHQXYBLMG-LJQANCHMSA-N |