3-{[4-(piperidine-1-carbonyl)cyclohexyl]methyl}-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-{[4-(piperidine-1-carbonyl)cyclohexyl]methyl}-1,2,3-benzotriazin-4(3H)-one
3-{[4-(piperidine-1-carbonyl)cyclohexyl]methyl}-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y042-9014 |
| Compound Name: | 3-{[4-(piperidine-1-carbonyl)cyclohexyl]methyl}-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C20 H26 N4 O2 |
| Smiles: | C1CCN(CC1)C([C@H]1CC[C@@H](CC1)CN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5666 |
| logD: | 3.5666 |
| logSw: | -3.7313 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.773 |
| InChI Key: | XNXQBARWOUMRSP-UHFFFAOYSA-N |