1-(6-methylpyridin-2-yl)-6-(2-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
1-(6-methylpyridin-2-yl)-6-(2-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
1-(6-methylpyridin-2-yl)-6-(2-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 7834-0138 |
| Compound Name: | 1-(6-methylpyridin-2-yl)-6-(2-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C20 H21 N5 O S |
| Smiles: | Cc1cccc(n1)N1C2=C(CN(CCc3ccccc3)CN2)C(NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7028 |
| logD: | 2.6874 |
| logSw: | -3.0184 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.173 |
| InChI Key: | ROYOFJBDTLLIPV-UHFFFAOYSA-N |