N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide
Chemical Structure Depiction of
N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide
N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide
Compound characteristics
| Compound ID: | D524-2916 |
| Compound Name: | N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C24 H23 F2 N5 O2 |
| Smiles: | [H]C([H])(CCC)C1=C(C)Nc2nc(nn2C1=O)N(C(c1ccccc1F)=O)C([H])([H])c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 5.2694 |
| logD: | 5.0932 |
| logSw: | -5.0119 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.801 |
| InChI Key: | IAXKZBUSBPIDKF-UHFFFAOYSA-N |