2-ethyl-6-{4-[3-(4-methylphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-ethyl-6-{4-[3-(4-methylphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
2-ethyl-6-{4-[3-(4-methylphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0358 |
| Compound Name: | 2-ethyl-6-{4-[3-(4-methylphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C24 H27 N3 O5 S |
| Smiles: | CCC1C(Nc2cc(ccc2O1)S(N1CCN(CC1)C(/C=C/c1ccc(C)cc1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2847 |
| logD: | 3.2843 |
| logSw: | -3.5915 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.681 |
| InChI Key: | QIWYMGHNXDSPMR-OAQYLSRUSA-N |