2-ethyl-6-{4-[3-(furan-2-yl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-ethyl-6-{4-[3-(furan-2-yl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
2-ethyl-6-{4-[3-(furan-2-yl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0419 |
| Compound Name: | 2-ethyl-6-{4-[3-(furan-2-yl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 445.49 |
| Molecular Formula: | C21 H23 N3 O6 S |
| Smiles: | CCC1C(Nc2cc(ccc2O1)S(N1CCN(CC1)C(/C=C/c1ccco1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.006 |
| logD: | 2.0056 |
| logSw: | -2.9034 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.43 |
| InChI Key: | PFLJTDORSUBPAL-GOSISDBHSA-N |