ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(3-nitroanilino)thieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(3-nitroanilino)thieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(3-nitroanilino)thieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K824-0019 |
| Compound Name: | ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(3-nitroanilino)thieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 430.44 |
| Molecular Formula: | C19 H18 N4 O6 S |
| Smiles: | CCOC(c1c(C)c2c(Nc3cccc(c3)[N+]([O-])=O)nc(CC(=O)OC)nc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2489 |
| logD: | 4.2463 |
| logSw: | -4.5738 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.171 |
| InChI Key: | RIEUIRKFBJEJIC-UHFFFAOYSA-N |