2-{[(4-chlorophenyl)methyl]amino}-5-methyl-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]amino}-5-methyl-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-chlorophenyl)methyl]amino}-5-methyl-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D481-0057 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]amino}-5-methyl-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 442.95 |
| Molecular Formula: | C22 H27 Cl N6 O2 |
| Smiles: | CC1CCN(CC1)C(CCC1=C(C)Nc2nc(NCc3ccc(cc3)[Cl])nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9719 |
| logD: | 2.9287 |
| logSw: | -3.6263 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.013 |
| InChI Key: | JNDNNFAZMVUADA-UHFFFAOYSA-N |