7-[2-(1-benzyl-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl)ethenyl][1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
Chemical Structure Depiction of
7-[2-(1-benzyl-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl)ethenyl][1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
7-[2-(1-benzyl-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl)ethenyl][1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
Compound characteristics
| Compound ID: | Y021-2282 |
| Compound Name: | 7-[2-(1-benzyl-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl)ethenyl][1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid |
| Molecular Weight: | 451.53 |
| Molecular Formula: | C27 H25 N5 O2 |
| Smiles: | CC1=CC(C)(C)N(Cc2ccccc2)c2ccc(/C=C/c3c(cnc4ncnn34)C(O)=O)cc12 |
| Stereo: | ACHIRAL |
| logP: | 5.6052 |
| logD: | 2.3932 |
| logSw: | -5.2778 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.41 |
| InChI Key: | ZXIQLEIWRBHVNF-UHFFFAOYSA-N |