N-[1-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-1H-1,2,4-triazol-3-yl]-4-methylbenzamide
Chemical Structure Depiction of
N-[1-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-1H-1,2,4-triazol-3-yl]-4-methylbenzamide
N-[1-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-1H-1,2,4-triazol-3-yl]-4-methylbenzamide
Compound characteristics
| Compound ID: | D524-1333 |
| Compound Name: | N-[1-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-1H-1,2,4-triazol-3-yl]-4-methylbenzamide |
| Molecular Weight: | 367.38 |
| Molecular Formula: | C19 H18 F N5 O2 |
| Smiles: | Cc1ccc(cc1)C(Nc1ncn(CC(NCc2ccc(cc2)F)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5029 |
| logD: | 2.3041 |
| logSw: | -2.8373 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.023 |
| InChI Key: | TWNQLHKTKDRHTH-UHFFFAOYSA-N |