N-(4-chlorophenyl)-2-fluoro-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-fluoro-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
N-(4-chlorophenyl)-2-fluoro-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | D433-0973 |
| Compound Name: | N-(4-chlorophenyl)-2-fluoro-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide |
| Molecular Weight: | 411.82 |
| Molecular Formula: | C20 H15 Cl F N5 O2 |
| Smiles: | CC1=CC(n2c(N1)nc(CN(C(c1ccccc1F)=O)c1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1771 |
| logD: | 0.5244 |
| logSw: | -3.8611 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.347 |
| InChI Key: | SPJSGOUGFLJLDY-UHFFFAOYSA-N |