1-benzyl-6-cyclopentyl-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
1-benzyl-6-cyclopentyl-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
1-benzyl-6-cyclopentyl-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8018-9047 |
| Compound Name: | 1-benzyl-6-cyclopentyl-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 342.46 |
| Molecular Formula: | C18 H22 N4 O S |
| Smiles: | C1CCC(C1)N1CC2=C(NC1)N(Cc1ccccc1)C(NC2=O)=S |
| Stereo: | ACHIRAL |
| logP: | 2.7546 |
| logD: | 2.2939 |
| logSw: | -3.2036 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.839 |
| InChI Key: | BSIXBRDNOWTUSW-UHFFFAOYSA-N |