1,3-dimethyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1,3-dimethyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
1,3-dimethyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C610-0521 |
| Compound Name: | 1,3-dimethyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C20 H16 N4 O3 S2 |
| Smiles: | CN1C(c2c(nc(c3cccs3)nc2SCC(c2ccccc2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9648 |
| logD: | 3.9648 |
| logSw: | -4.2937 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.049 |
| InChI Key: | GUSVTHUISMCRDS-UHFFFAOYSA-N |