6-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(furan-2-yl)methyl]-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
6-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(furan-2-yl)methyl]-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
6-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(furan-2-yl)methyl]-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8017-2161 |
| Compound Name: | 6-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(furan-2-yl)methyl]-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C21 H24 N4 O4 S |
| Smiles: | COc1ccc(CCN2CC3=C(NC2)N(Cc2ccco2)C(NC3=O)=S)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.9697 |
| logD: | 1.9316 |
| logSw: | -2.8245 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.908 |
| InChI Key: | WQMAXPVQDRFPLT-UHFFFAOYSA-N |