propan-2-yl 5-{[2-(3-bromophenyl)quinoline-4-carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate
Chemical Structure Depiction of
propan-2-yl 5-{[2-(3-bromophenyl)quinoline-4-carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate
propan-2-yl 5-{[2-(3-bromophenyl)quinoline-4-carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y503-0549 |
| Compound Name: | propan-2-yl 5-{[2-(3-bromophenyl)quinoline-4-carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate |
| Molecular Weight: | 534.43 |
| Molecular Formula: | C26 H20 Br N3 O3 S |
| Smiles: | CC(C)OC(c1c(C)c(C#N)c(NC(c2cc(c3cccc(c3)[Br])nc3ccccc23)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7462 |
| logD: | 5.9458 |
| logSw: | -5.9423 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.672 |
| InChI Key: | GZCDIEJFIXJJFF-UHFFFAOYSA-N |