3-{[4-(3,4-difluorophenoxy)-2-(piperidin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[4-(3,4-difluorophenoxy)-2-(piperidin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl]methyl}benzonitrile
3-{[4-(3,4-difluorophenoxy)-2-(piperidin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V021-0651 |
| Compound Name: | 3-{[4-(3,4-difluorophenoxy)-2-(piperidin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl]methyl}benzonitrile |
| Molecular Weight: | 461.51 |
| Molecular Formula: | C26 H25 F2 N5 O |
| Salt: | not_available |
| Smiles: | C1CCN(CC1)c1nc2CCN(Cc3cccc(C#N)c3)Cc2c(n1)Oc1ccc(c(c1)F)F |
| Stereo: | ACHIRAL |
| logP: | 5.4218 |
| logD: | 5.4217 |
| logSw: | -5.7933 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.646 |
| InChI Key: | RSXQYFVVTHCPMK-UHFFFAOYSA-N |