2-{[(4-chlorophenyl)methyl]amino}-6-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]amino}-6-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-chlorophenyl)methyl]amino}-6-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D481-0064 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]amino}-6-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 456.97 |
| Molecular Formula: | C23 H29 Cl N6 O2 |
| Smiles: | CCC1CCCCN1C(CCC1=C(C)Nc2nc(NCc3ccc(cc3)[Cl])nn2C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4557 |
| logD: | 3.4125 |
| logSw: | -3.8802 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.659 |
| InChI Key: | LMMHSVQVOBGOJD-SFHVURJKSA-N |