ethyl 3-{[(4-hydroxy-3-nitrophenyl)methylidene]amino}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-{[(4-hydroxy-3-nitrophenyl)methylidene]amino}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-{[(4-hydroxy-3-nitrophenyl)methylidene]amino}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K018-0052 |
| Compound Name: | ethyl 3-{[(4-hydroxy-3-nitrophenyl)methylidene]amino}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 402.38 |
| Molecular Formula: | C17 H14 N4 O6 S |
| Smiles: | CCOC(c1c(C)c2C(N(C=Nc2s1)/N=C/c1ccc(c(c1)[N+]([O-])=O)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6887 |
| logD: | 2.0691 |
| logSw: | -2.7645 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.499 |
| InChI Key: | DBPKGXZAZGPHOX-UHFFFAOYSA-N |