3-{4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-{4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one
3-{4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y040-6025 |
| Compound Name: | 3-{4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 426.9 |
| Molecular Formula: | C22 H23 Cl N4 O3 |
| Smiles: | C(CC(N1CCC(CC1)(c1ccc(cc1)[Cl])O)=O)CN1C(c2ccccc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3688 |
| logD: | 2.3688 |
| logSw: | -3.2494 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.138 |
| InChI Key: | DCJSHCUPHBHLNH-UHFFFAOYSA-N |