6-[(furan-2-yl)methyl]-1-(2-methylphenyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
6-[(furan-2-yl)methyl]-1-(2-methylphenyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
6-[(furan-2-yl)methyl]-1-(2-methylphenyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8213-0023 |
| Compound Name: | 6-[(furan-2-yl)methyl]-1-(2-methylphenyl)-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: | Cc1ccccc1N1C2=C(CN(Cc3ccco3)CN2)C(NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3359 |
| logD: | 2.3321 |
| logSw: | -2.6591 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.757 |
| InChI Key: | YXNFAIAFZZDKCW-UHFFFAOYSA-N |