6-[4-(4-benzylpiperidin-1-yl)-4-oxobutane-2-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[4-(4-benzylpiperidin-1-yl)-4-oxobutane-2-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-[4-(4-benzylpiperidin-1-yl)-4-oxobutane-2-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E667-1138 |
| Compound Name: | 6-[4-(4-benzylpiperidin-1-yl)-4-oxobutane-2-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 456.56 |
| Molecular Formula: | C24 H28 N2 O5 S |
| Smiles: | CC(CC(N1CCC(CC1)Cc1ccccc1)=O)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7257 |
| logD: | 2.7256 |
| logSw: | -3.4843 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.13 |
| InChI Key: | ZPUUKGFMHQGVHV-KRWDZBQOSA-N |