N-[(3-bromophenyl)methyl]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
N-[(3-bromophenyl)methyl]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
Compound characteristics
| Compound ID: | E014-0287 |
| Compound Name: | N-[(3-bromophenyl)methyl]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide |
| Molecular Weight: | 440.36 |
| Molecular Formula: | C21 H18 Br N3 O S |
| Smiles: | Cc1cc(C)nc2c1c(c(C(NCc1cccc(c1)[Br])=O)s2)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3904 |
| logD: | 5.3815 |
| logSw: | -5.5589 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.563 |
| InChI Key: | UHXZBJKPSGWYJB-UHFFFAOYSA-N |