2-{[(4-chlorophenyl)methyl]amino}-5-methyl-6-[3-oxo-3-(piperidin-1-yl)propyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]amino}-5-methyl-6-[3-oxo-3-(piperidin-1-yl)propyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-chlorophenyl)methyl]amino}-5-methyl-6-[3-oxo-3-(piperidin-1-yl)propyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D481-0058 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]amino}-5-methyl-6-[3-oxo-3-(piperidin-1-yl)propyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 428.92 |
| Molecular Formula: | C21 H25 Cl N6 O2 |
| Smiles: | CC1=C(CCC(N2CCCCC2)=O)C(n2c(N1)nc(NCc1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6415 |
| logD: | 2.5983 |
| logSw: | -3.5562 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.013 |
| InChI Key: | CSCSABYECASHSV-UHFFFAOYSA-N |