6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-sulfonyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-sulfonyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one
6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-sulfonyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0288 |
| Compound Name: | 6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-sulfonyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 447.48 |
| Molecular Formula: | C21 H22 F N3 O5 S |
| Smiles: | CC1C(Nc2cc(ccc2O1)S(N1CCN(CC1)C(c1ccc(C)c(c1)F)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.153 |
| logD: | 2.1527 |
| logSw: | -2.9292 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.014 |
| InChI Key: | LFBSTIVTTVPRCO-CQSZACIVSA-N |