6-[(4-chlorophenyl)methyl]-2-[(2-fluoroanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-[(4-chlorophenyl)methyl]-2-[(2-fluoroanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-[(4-chlorophenyl)methyl]-2-[(2-fluoroanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D433-1569 |
| Compound Name: | 6-[(4-chlorophenyl)methyl]-2-[(2-fluoroanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 397.84 |
| Molecular Formula: | C20 H17 Cl F N5 O |
| Smiles: | CC1=C(Cc2ccc(cc2)[Cl])C(n2c(N1)nc(CNc1ccccc1F)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9816 |
| logD: | 2.8612 |
| logSw: | -4.4423 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.779 |
| InChI Key: | HIMIVLWHBXDMGM-UHFFFAOYSA-N |