7-(4-chlorophenyl)-5-{[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
7-(4-chlorophenyl)-5-{[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
7-(4-chlorophenyl)-5-{[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G786-1842 |
| Compound Name: | 7-(4-chlorophenyl)-5-{[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 489.98 |
| Molecular Formula: | C22 H24 Cl N5 O4 S |
| Smiles: | CC1CN(CC(C)O1)C(CSc1c2C(N(C)C(N(C)c2nc(c2ccc(cc2)[Cl])n1)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7904 |
| logD: | 3.7904 |
| logSw: | -4.8075 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.109 |
| InChI Key: | SZIGJXBCZVWRIA-UHFFFAOYSA-N |