6-benzyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
6-benzyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
6-benzyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 7834-0152 |
| Compound Name: | 6-benzyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C23 H26 N4 O3 S |
| Smiles: | COc1ccc(CCN2C3=C(CN(Cc4ccccc4)CN3)C(NC2=S)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.5921 |
| logD: | 2.3613 |
| logSw: | -3.1271 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.16 |
| InChI Key: | MPGYLBUVNALILU-UHFFFAOYSA-N |