N-[(2H-1,3-benzodioxol-5-yl)methyl]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
Compound characteristics
| Compound ID: | E014-0117 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C22 H19 N3 O3 S |
| Smiles: | Cc1cc(C)nc2c1c(c(C(NCc1ccc3c(c1)OCO3)=O)s2)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5506 |
| logD: | 4.5418 |
| logSw: | -4.6305 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.678 |
| InChI Key: | VBOWUSFJVHVMGR-UHFFFAOYSA-N |