1-{2-(4-methoxyphenyl)-5-[(quinolin-8-yl)amino]-2H-1,2,3-triazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{2-(4-methoxyphenyl)-5-[(quinolin-8-yl)amino]-2H-1,2,3-triazol-4-yl}ethan-1-one
1-{2-(4-methoxyphenyl)-5-[(quinolin-8-yl)amino]-2H-1,2,3-triazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D153-0079 |
| Compound Name: | 1-{2-(4-methoxyphenyl)-5-[(quinolin-8-yl)amino]-2H-1,2,3-triazol-4-yl}ethan-1-one |
| Molecular Weight: | 359.39 |
| Molecular Formula: | C20 H17 N5 O2 |
| Smiles: | CC(c1c(Nc2cccc3cccnc23)nn(c2ccc(cc2)OC)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4354 |
| logD: | 3.4353 |
| logSw: | -3.3032 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.1 |
| InChI Key: | JAFUUYMNNRXNMK-UHFFFAOYSA-N |