3-{6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-6-oxohexyl}-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-{6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-6-oxohexyl}-1,2,3-benzotriazin-4(3H)-one
3-{6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-6-oxohexyl}-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y043-0389 |
| Compound Name: | 3-{6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-6-oxohexyl}-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 454.96 |
| Molecular Formula: | C24 H27 Cl N4 O3 |
| Smiles: | C(CCC(N1CCC(CC1)(c1ccc(cc1)[Cl])O)=O)CCN1C(c2ccccc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3789 |
| logD: | 3.3789 |
| logSw: | -4.0769 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.138 |
| InChI Key: | DROHVSVMFDFYKJ-UHFFFAOYSA-N |