6-[4-(5-bromofuran-2-carbonyl)piperazine-1-sulfonyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[4-(5-bromofuran-2-carbonyl)piperazine-1-sulfonyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one
6-[4-(5-bromofuran-2-carbonyl)piperazine-1-sulfonyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0188 |
| Compound Name: | 6-[4-(5-bromofuran-2-carbonyl)piperazine-1-sulfonyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 484.32 |
| Molecular Formula: | C18 H18 Br N3 O6 S |
| Smiles: | CC1C(Nc2cc(ccc2O1)S(N1CCN(CC1)C(c1ccc(o1)[Br])=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8385 |
| logD: | 1.8383 |
| logSw: | -2.6793 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.94 |
| InChI Key: | PQRIJQPUFFEZHN-LLVKDONJSA-N |