1-[2-(3,4-dimethoxyphenyl)ethyl]-6-(1-phenylethyl)-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-(1-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-(1-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 7834-0187 |
| Compound Name: | 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-(1-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 452.57 |
| Molecular Formula: | C24 H28 N4 O3 S |
| Smiles: | CC(c1ccccc1)N1CC2=C(NC1)N(CCc1ccc(c(c1)OC)OC)C(NC2=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1235 |
| logD: | 2.8869 |
| logSw: | -3.4616 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.832 |
| InChI Key: | YNVRPQBSFZWGHF-INIZCTEOSA-N |