2-ethyl-6-{4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-ethyl-6-{4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
2-ethyl-6-{4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0357 |
| Compound Name: | 2-ethyl-6-{4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 487.57 |
| Molecular Formula: | C24 H29 N3 O6 S |
| Smiles: | CCC1C(Nc2cc(ccc2O1)S(N1CCN(CC1)C(CCc1ccc(cc1)OC)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7351 |
| logD: | 2.7347 |
| logSw: | -3.5039 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.225 |
| InChI Key: | YBKGHECLZIOSBQ-OAQYLSRUSA-N |