6-methyl-4-[(4-methylphenyl)methyl]-1-{[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one
Chemical Structure Depiction of
6-methyl-4-[(4-methylphenyl)methyl]-1-{[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one
6-methyl-4-[(4-methylphenyl)methyl]-1-{[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one
Compound characteristics
| Compound ID: | L683-0396 |
| Compound Name: | 6-methyl-4-[(4-methylphenyl)methyl]-1-{[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one |
| Molecular Weight: | 465.58 |
| Molecular Formula: | C23 H27 N7 O2 S |
| Smiles: | CC1CCCN(C1)C(CSc1nnc2N(Cc3ccc(C)cc3)C(c3c(cnn3C)n12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6027 |
| logD: | 2.6027 |
| logSw: | -2.7496 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.765 |
| InChI Key: | HFSGQCOZOFBNQN-INIZCTEOSA-N |