1-[4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one
1-[4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | Y508-6329 |
| Compound Name: | 1-[4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C20 H19 N3 O5 S |
| Smiles: | CCOc1c(ccc(C2C(=C(c3ccccc3)NC(N2)=S)C(C)=O)c1[N+]([O-])=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2914 |
| logD: | 3.2003 |
| logSw: | -3.3814 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.355 |
| InChI Key: | LERBMOSYKSDDMY-QGZVFWFLSA-N |