6-{4-[3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2-ethyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-{4-[3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2-ethyl-2H-1,4-benzoxazin-3(4H)-one
6-{4-[3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2-ethyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0337 |
| Compound Name: | 6-{4-[3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2-ethyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 489.98 |
| Molecular Formula: | C23 H24 Cl N3 O5 S |
| Smiles: | CCC1C(Nc2cc(ccc2O1)S(N1CCN(CC1)C(/C=C/c1ccccc1[Cl])=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3919 |
| logD: | 3.3915 |
| logSw: | -3.7164 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.681 |
| InChI Key: | JBTUZMWWZVTGCO-HXUWFJFHSA-N |