2-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-5-methyl-7-phenyl[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-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
2-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-5-methyl-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P032-2149 |
| Compound Name: | 2-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-5-methyl-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one |
| Molecular Weight: | 399.45 |
| Molecular Formula: | C23 H21 N5 O2 |
| Smiles: | CC1=NC(=CC2=NN(CC(N3CCCc4ccccc34)=O)C(N12)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0073 |
| logD: | 2.9968 |
| logSw: | -3.3194 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.046 |
| InChI Key: | XPYLKIHIGPKJMK-UHFFFAOYSA-N |