1-benzyl-6-(butan-2-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
1-benzyl-6-(butan-2-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
1-benzyl-6-(butan-2-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8018-9056 |
| Compound Name: | 1-benzyl-6-(butan-2-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 330.45 |
| Molecular Formula: | C17 H22 N4 O S |
| Smiles: | CCC(C)N1CC2=C(NC1)N(Cc1ccccc1)C(NC2=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7463 |
| logD: | 2.1678 |
| logSw: | -3.2031 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.828 |
| InChI Key: | JJOXOSLUFAESLU-LBPRGKRZSA-N |