1-benzyl-6-[(furan-2-yl)methyl]-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
1-benzyl-6-[(furan-2-yl)methyl]-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
1-benzyl-6-[(furan-2-yl)methyl]-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8018-9055 |
| Compound Name: | 1-benzyl-6-[(furan-2-yl)methyl]-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C18 H18 N4 O2 S |
| Smiles: | C1C2=C(NCN1Cc1ccco1)N(Cc1ccccc1)C(NC2=O)=S |
| Stereo: | ACHIRAL |
| logP: | 2.3834 |
| logD: | 2.3723 |
| logSw: | -2.7796 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.669 |
| InChI Key: | KDMIJIADGFITLV-UHFFFAOYSA-N |