methyl 3,6-diamino-5-cyano-4-(4-ethoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate
Chemical Structure Depiction of
methyl 3,6-diamino-5-cyano-4-(4-ethoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate
methyl 3,6-diamino-5-cyano-4-(4-ethoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate
Compound characteristics
| Compound ID: | 8645-0037 |
| Compound Name: | methyl 3,6-diamino-5-cyano-4-(4-ethoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate |
| Molecular Weight: | 368.41 |
| Molecular Formula: | C18 H16 N4 O3 S |
| Smiles: | CCOc1ccc(cc1)c1c(C#N)c(N)nc2c1c(c(C(=O)OC)s2)N |
| Stereo: | ACHIRAL |
| logP: | 3.2747 |
| logD: | 3.2747 |
| logSw: | -3.6881 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 95.124 |
| InChI Key: | QPOFBONQGFKGSR-UHFFFAOYSA-N |