5,5'-({3-[(4-nitrophenyl)methoxy]phenyl}methylene)bis(6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one)
Chemical Structure Depiction of
5,5'-({3-[(4-nitrophenyl)methoxy]phenyl}methylene)bis(6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one)
5,5'-({3-[(4-nitrophenyl)methoxy]phenyl}methylene)bis(6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one)
Compound characteristics
| Compound ID: | 4489-3058 |
| Compound Name: | 5,5'-({3-[(4-nitrophenyl)methoxy]phenyl}methylene)bis(6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one) |
| Molecular Weight: | 527.53 |
| Molecular Formula: | C22 H17 N5 O7 S2 |
| Smiles: | C(c1ccc(cc1)[N+]([O-])=O)Oc1cccc(c1)C(C1=C(NC(NC1=O)=S)O)C1=C(NC(NC1=O)=S)O |
| Stereo: | ACHIRAL |
| logP: | 1.2374 |
| logD: | -6.094 |
| logSw: | -2.5884 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 139.622 |
| InChI Key: | CIWDOMQDXGPUOQ-UHFFFAOYSA-N |