1-[6-(4-benzylpiperazine-1-sulfonyl)-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(4-benzylpiperazine-1-sulfonyl)-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethan-1-one
1-[6-(4-benzylpiperazine-1-sulfonyl)-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethan-1-one
Compound characteristics
| Compound ID: | E589-0108 |
| Compound Name: | 1-[6-(4-benzylpiperazine-1-sulfonyl)-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethan-1-one |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C22 H27 N3 O4 S |
| Smiles: | CC1CN(C(C)=O)c2cc(ccc2O1)S(N1CCN(CC1)Cc1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4235 |
| logD: | 2.4166 |
| logSw: | -2.8302 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.591 |
| InChI Key: | AQUOQPIQBYESIM-QGZVFWFLSA-N |