methyl 4-{3-bromo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-2-methyl-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate
Chemical Structure Depiction of
methyl 4-{3-bromo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-2-methyl-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate
methyl 4-{3-bromo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-2-methyl-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4767-0922 |
| Compound Name: | methyl 4-{3-bromo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-2-methyl-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate |
| Molecular Weight: | 494.34 |
| Molecular Formula: | C25 H20 Br N O5 |
| Smiles: | CC1=C(C(C2=C(c3ccccc3C2=O)N1)c1cc(c(c(c1)[Br])OCC#C)OC)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3178 |
| logD: | 0.3031 |
| logSw: | -4.4699 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.468 |
| InChI Key: | CRHALUPPLJYMKZ-FQEVSTJZSA-N |