1,3-dimethyl-7-(2-methylpropyl)-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1,3-dimethyl-7-(2-methylpropyl)-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
1,3-dimethyl-7-(2-methylpropyl)-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G786-1766 |
| Compound Name: | 1,3-dimethyl-7-(2-methylpropyl)-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C24 H30 N6 O3 S |
| Smiles: | CC(C)Cc1nc2c(C(N(C)C(N2C)=O)=O)c(n1)SCC(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.677 |
| logD: | 3.6769 |
| logSw: | -4.0617 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.699 |
| InChI Key: | OSBDALKPKGHPSG-UHFFFAOYSA-N |