6-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-5-methyl-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-5-methyl-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-5-methyl-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D481-0116 |
| Compound Name: | 6-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-5-methyl-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 436.56 |
| Molecular Formula: | C24 H32 N6 O2 |
| Smiles: | CCC1CCCCN1C(CCC1=C(C)Nc2nc(NCc3ccc(C)cc3)nn2C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2844 |
| logD: | 3.2412 |
| logSw: | -3.3739 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.659 |
| InChI Key: | XJRPWAJRKUXSOM-IBGZPJMESA-N |