2-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-7-(4-fluoroanilino)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Chemical Structure Depiction of
2-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-7-(4-fluoroanilino)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
2-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-7-(4-fluoroanilino)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P573-6839 |
| Compound Name: | 2-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-7-(4-fluoroanilino)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one |
| Molecular Weight: | 418.43 |
| Molecular Formula: | C22 H19 F N6 O2 |
| Smiles: | C1Cc2ccccc2N(C1)C(CN1C(N2C=CC(Nc3ccc(cc3)F)=NC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8986 |
| logD: | 2.8961 |
| logSw: | -3.4343 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.902 |
| InChI Key: | YRBJSFHPZVTWCC-UHFFFAOYSA-N |