octyl 3,6-diamino-5-cyanothieno[2,3-b]pyridine-2-carboxylate
Chemical Structure Depiction of
octyl 3,6-diamino-5-cyanothieno[2,3-b]pyridine-2-carboxylate
octyl 3,6-diamino-5-cyanothieno[2,3-b]pyridine-2-carboxylate
Compound characteristics
| Compound ID: | 5050-0044 |
| Compound Name: | octyl 3,6-diamino-5-cyanothieno[2,3-b]pyridine-2-carboxylate |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C17 H22 N4 O2 S |
| Smiles: | CCCCCCCCOC(c1c(c2cc(C#N)c(N)nc2s1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6489 |
| logD: | 4.6489 |
| logSw: | -4.616 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 88.146 |
| InChI Key: | JJCVALVGDACFQK-UHFFFAOYSA-N |