3-{3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-oxopropyl}-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-{3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-oxopropyl}-1,2,3-benzotriazin-4(3H)-one
3-{3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-oxopropyl}-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y040-9688 |
| Compound Name: | 3-{3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-oxopropyl}-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 412.87 |
| Molecular Formula: | C21 H21 Cl N4 O3 |
| Smiles: | C(CN1C(c2ccccc2N=N1)=O)C(N1CCC(CC1)(c1ccc(cc1)[Cl])O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3502 |
| logD: | 2.3502 |
| logSw: | -3.2428 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.138 |
| InChI Key: | VEPPEYFKRQWBOB-UHFFFAOYSA-N |