3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-7-(ethylsulfanyl)pyrimido[4,5-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-7-(ethylsulfanyl)pyrimido[4,5-d]pyrimidin-4(3H)-one
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-7-(ethylsulfanyl)pyrimido[4,5-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F236-0114 |
| Compound Name: | 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-7-(ethylsulfanyl)pyrimido[4,5-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 423.54 |
| Molecular Formula: | C22 H25 N5 O2 S |
| Smiles: | CCSc1ncc2C(N(CC(N3CCC(CC3)Cc3ccccc3)=O)C=Nc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0862 |
| logD: | 3.0862 |
| logSw: | -3.1917 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.85 |
| InChI Key: | PKWCAEIIZXVNRM-UHFFFAOYSA-N |