benzyl 3,6-diamino-5-cyano-4-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate
Chemical Structure Depiction of
benzyl 3,6-diamino-5-cyano-4-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate
benzyl 3,6-diamino-5-cyano-4-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate
Compound characteristics
| Compound ID: | 8009-6590 |
| Compound Name: | benzyl 3,6-diamino-5-cyano-4-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate |
| Molecular Weight: | 460.51 |
| Molecular Formula: | C24 H20 N4 O4 S |
| Smiles: | COc1ccc(cc1OC)c1c(C#N)c(N)nc2c1c(c(C(=O)OCc1ccccc1)s2)N |
| Stereo: | ACHIRAL |
| logP: | 3.7988 |
| logD: | 3.7988 |
| logSw: | -4.6316 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 102.945 |
| InChI Key: | OOZCQKJZSHJLPG-UHFFFAOYSA-N |