5,5'-[(pyridin-3-yl)methylene]bis(6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one)
Chemical Structure Depiction of
5,5'-[(pyridin-3-yl)methylene]bis(6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one)
5,5'-[(pyridin-3-yl)methylene]bis(6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one)
Compound characteristics
| Compound ID: | 3739-0061 |
| Compound Name: | 5,5'-[(pyridin-3-yl)methylene]bis(6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one) |
| Molecular Weight: | 377.4 |
| Molecular Formula: | C14 H11 N5 O4 S2 |
| Smiles: | c1cc(cnc1)C(C1=C(NC(NC1=O)=S)O)C1=C(NC(NC1=O)=S)O |
| Stereo: | ACHIRAL |
| logP: | -0.5959 |
| logD: | -4.014 |
| logSw: | -1.4286 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 113.286 |
| InChI Key: | XJJQVSJIZSQPOQ-UHFFFAOYSA-N |