6-{4-[(4-bromophenyl)acetyl]piperazine-1-sulfonyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-{4-[(4-bromophenyl)acetyl]piperazine-1-sulfonyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
6-{4-[(4-bromophenyl)acetyl]piperazine-1-sulfonyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0228 |
| Compound Name: | 6-{4-[(4-bromophenyl)acetyl]piperazine-1-sulfonyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 508.39 |
| Molecular Formula: | C21 H22 Br N3 O5 S |
| Smiles: | CC1C(Nc2cc(ccc2O1)S(N1CCN(CC1)C(Cc1ccc(cc1)[Br])=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6807 |
| logD: | 2.6804 |
| logSw: | -3.2742 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.487 |
| InChI Key: | KSMNWMDUQCHVQH-CQSZACIVSA-N |