6-[4-(5-bromopyridine-3-carbonyl)piperazine-1-sulfonyl]-2-ethyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[4-(5-bromopyridine-3-carbonyl)piperazine-1-sulfonyl]-2-ethyl-2H-1,4-benzoxazin-3(4H)-one
6-[4-(5-bromopyridine-3-carbonyl)piperazine-1-sulfonyl]-2-ethyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0397 |
| Compound Name: | 6-[4-(5-bromopyridine-3-carbonyl)piperazine-1-sulfonyl]-2-ethyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 509.38 |
| Molecular Formula: | C20 H21 Br N4 O5 S |
| Smiles: | CCC1C(Nc2cc(ccc2O1)S(N1CCN(CC1)C(c1cc(cnc1)[Br])=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0945 |
| logD: | 2.0941 |
| logSw: | -2.8094 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.816 |
| InChI Key: | QWXPZMGUUKHIEA-QGZVFWFLSA-N |