6-methyl-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid
Chemical Structure Depiction of
6-methyl-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid
6-methyl-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | D136-0029 |
| Compound Name: | 6-methyl-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C25 H18 N2 O3 |
| Smiles: | Cc1ccc(cc1)c1c2cc(ccc2no1)c1cc(C(O)=O)c2cc(C)ccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 7.0942 |
| logD: | 2.2396 |
| logSw: | -5.5809 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.189 |
| InChI Key: | UICJOSRMANDMSK-UHFFFAOYSA-N |