1-[(furan-2-yl)methyl]-6-propyl-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
1-[(furan-2-yl)methyl]-6-propyl-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
1-[(furan-2-yl)methyl]-6-propyl-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8017-0096 |
| Compound Name: | 1-[(furan-2-yl)methyl]-6-propyl-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 306.38 |
| Molecular Formula: | C14 H18 N4 O2 S |
| Smiles: | CCCN1CC2=C(NC1)N(Cc1ccco1)C(NC2=O)=S |
| Stereo: | ACHIRAL |
| logP: | 1.5102 |
| logD: | 1.1656 |
| logSw: | -2.3337 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.919 |
| InChI Key: | MRJLLSQIIRMYNF-UHFFFAOYSA-N |