3-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]cyclohexyl}methyl)-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]cyclohexyl}methyl)-1,2,3-benzotriazin-4(3H)-one
3-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]cyclohexyl}methyl)-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y041-0335 |
| Compound Name: | 3-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]cyclohexyl}methyl)-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C24 H28 N6 O2 |
| Smiles: | C1C[C@H](CC[C@@H]1C(N1CCN(CC1)c1ccccn1)=O)CN1C(c2ccccc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8695 |
| logD: | 3.8607 |
| logSw: | -4.1768 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.545 |
| InChI Key: | HCPMZXDWFGILSE-UHFFFAOYSA-N |