2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]-6-(propan-2-yl)quinoline-4-carboxylic acid
Chemical Structure Depiction of
2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]-6-(propan-2-yl)quinoline-4-carboxylic acid
2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]-6-(propan-2-yl)quinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | D136-0035 |
| Compound Name: | 2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]-6-(propan-2-yl)quinoline-4-carboxylic acid |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C27 H22 N2 O3 |
| Smiles: | CC(C)c1ccc2c(c1)c(cc(c1ccc3c(c1)c(c1ccc(C)cc1)on3)n2)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.9473 |
| logD: | 3.0927 |
| logSw: | -5.678 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.189 |
| InChI Key: | IAZOAIJUHSZOTE-UHFFFAOYSA-N |