N-[2-(azepan-1-yl)ethyl]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
N-[2-(azepan-1-yl)ethyl]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
Compound characteristics
| Compound ID: | E014-0222 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide |
| Molecular Weight: | 396.55 |
| Molecular Formula: | C22 H28 N4 O S |
| Smiles: | Cc1cc(C)nc2c1c(c(C(NCCN1CCCCCC1)=O)s2)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3127 |
| logD: | 3.047 |
| logSw: | -4.2281 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.718 |
| InChI Key: | MYTXLKVCVXCEIB-UHFFFAOYSA-N |