3-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2,3,4,5,6,6a-hexahydro-1,5-methano-3-benzazocin-7(1H)-one
Chemical Structure Depiction of
3-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2,3,4,5,6,6a-hexahydro-1,5-methano-3-benzazocin-7(1H)-one
3-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2,3,4,5,6,6a-hexahydro-1,5-methano-3-benzazocin-7(1H)-one
Compound characteristics
| Compound ID: | 8013-5933 |
| Compound Name: | 3-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2,3,4,5,6,6a-hexahydro-1,5-methano-3-benzazocin-7(1H)-one |
| Molecular Weight: | 434.58 |
| Molecular Formula: | C25 H34 N6 O |
| Smiles: | C1CCN(CC1)c1nc(nc(n1)N1CC2CC(C1)C1=CC=CC(C1C2)=O)N1CCCCC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1613 |
| logD: | 6.1612 |
| logSw: | -5.5496 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.199 |
| InChI Key: | DWBUQVMRBHLKPC-UHFFFAOYSA-N |