1-benzyl-6-(2-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
1-benzyl-6-(2-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
1-benzyl-6-(2-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8018-9048 |
| Compound Name: | 1-benzyl-6-(2-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C21 H22 N4 O S |
| Smiles: | C(CN1CC2=C(NC1)N(Cc1ccccc1)C(NC2=O)=S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1992 |
| logD: | 3.1321 |
| logSw: | -3.3668 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.899 |
| InChI Key: | QVPPTCHIZYUGTD-UHFFFAOYSA-N |