6-bromo-2-[4-(butan-2-yl)phenyl]-3-methylquinoline-4-carboxylic acid
Chemical Structure Depiction of
6-bromo-2-[4-(butan-2-yl)phenyl]-3-methylquinoline-4-carboxylic acid
6-bromo-2-[4-(butan-2-yl)phenyl]-3-methylquinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | Y501-8041 |
| Compound Name: | 6-bromo-2-[4-(butan-2-yl)phenyl]-3-methylquinoline-4-carboxylic acid |
| Molecular Weight: | 398.3 |
| Molecular Formula: | C21 H20 Br N O2 |
| Smiles: | CCC(C)c1ccc(cc1)c1c(C)c(C(O)=O)c2cc(ccc2n1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6521 |
| logD: | 1.7927 |
| logSw: | -5.6414 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.476 |
| InChI Key: | YMJMVVCOCCXSSD-LBPRGKRZSA-N |