2-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-5-(4-fluoroanilino)-7-methyl[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-(4-fluoroanilino)-7-methyl[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
2-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-5-(4-fluoroanilino)-7-methyl[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P572-5074 |
| Compound Name: | 2-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-5-(4-fluoroanilino)-7-methyl[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one |
| Molecular Weight: | 432.46 |
| Molecular Formula: | C23 H21 F N6 O2 |
| Smiles: | CC1=CC2=NN(CC(N3CCCc4ccccc34)=O)C(N2C(Nc2ccc(cc2)F)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2213 |
| logD: | 3.2144 |
| logSw: | -3.4817 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.702 |
| InChI Key: | OWLXPSHHGQPVKM-UHFFFAOYSA-N |