1-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 7834-0153 |
| Compound Name: | 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C21 H28 N4 O4 S |
| Smiles: | COc1ccc(CCN2C3=C(CN(CC4CCCO4)CN3)C(NC2=S)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2622 |
| logD: | 1.1875 |
| logSw: | -2.4014 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.814 |
| InChI Key: | PPCAGCKXXGXXAK-OAHLLOKOSA-N |