2-ethyl-6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-ethyl-6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
2-ethyl-6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0435 |
| Compound Name: | 2-ethyl-6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 461.51 |
| Molecular Formula: | C22 H24 F N3 O5 S |
| Smiles: | CCC1C(Nc2cc(ccc2O1)S(N1CCN(CC1)C(c1ccc(C)c(c1)F)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7502 |
| logD: | 2.7497 |
| logSw: | -3.2725 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.209 |
| InChI Key: | KGFIMAAQNDUIMG-LJQANCHMSA-N |