2-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-5-methyl-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Chemical Structure Depiction of
2-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-5-methyl-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
2-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-5-methyl-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P032-3169 |
| Compound Name: | 2-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-5-methyl-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one |
| Molecular Weight: | 400.44 |
| Molecular Formula: | C22 H20 N6 O2 |
| Smiles: | CC1=NC(=CC2=NN(CC(N3CCCc4ccccc34)=O)C(N12)=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 2.0813 |
| logD: | 2.073 |
| logSw: | -2.317 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.094 |
| InChI Key: | DJXPENJPJYNVAU-UHFFFAOYSA-N |