1-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(4-methoxyphenyl)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-[(4-methoxyphenyl)methyl]-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(4-methoxyphenyl)methyl]-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8213-0025 |
| Compound Name: | 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(4-methoxyphenyl)methyl]-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C24 H28 N4 O4 S |
| Smiles: | COc1ccc(CN2CC3=C(NC2)N(CCc2ccc(c(c2)OC)OC)C(NC3=O)=S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5745 |
| logD: | 2.4331 |
| logSw: | -3.0496 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.703 |
| InChI Key: | IXMBEMJWQHHTSK-UHFFFAOYSA-N |