5-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
5-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G786-1729 |
| Compound Name: | 5-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 479.6 |
| Molecular Formula: | C25 H29 N5 O3 S |
| Smiles: | CN1C(c2c(nc(C3CC3)nc2SCC(N2CCC(CC2)Cc2ccccc2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4653 |
| logD: | 4.4652 |
| logSw: | -4.4997 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.428 |
| InChI Key: | YCQLBAXKRYVAFV-UHFFFAOYSA-N |