ethyl 4-{3-[(4-fluorophenyl)sulfanyl]-5-nitroanilino}-2-(2-methoxy-2-oxoethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 4-{3-[(4-fluorophenyl)sulfanyl]-5-nitroanilino}-2-(2-methoxy-2-oxoethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
ethyl 4-{3-[(4-fluorophenyl)sulfanyl]-5-nitroanilino}-2-(2-methoxy-2-oxoethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K824-0059 |
| Compound Name: | ethyl 4-{3-[(4-fluorophenyl)sulfanyl]-5-nitroanilino}-2-(2-methoxy-2-oxoethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 556.59 |
| Molecular Formula: | C25 H21 F N4 O6 S2 |
| Smiles: | CCOC(c1c(C)c2c(Nc3cc(cc(c3)Sc3ccc(cc3)F)[N+]([O-])=O)nc(CC(=O)OC)nc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4763 |
| logD: | 6.4737 |
| logSw: | -5.8982 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.9 |
| InChI Key: | RAVVVEYZHGAICQ-UHFFFAOYSA-N |