5-[(4-fluoroanilino)methyl]-2-[(4-fluorophenyl)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[(4-fluoroanilino)methyl]-2-[(4-fluorophenyl)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
5-[(4-fluoroanilino)methyl]-2-[(4-fluorophenyl)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8020-4628 |
| Compound Name: | 5-[(4-fluoroanilino)methyl]-2-[(4-fluorophenyl)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 316.31 |
| Molecular Formula: | C16 H14 F2 N4 O |
| Smiles: | C(C1NN(Cc2ccc(cc2)F)C(N=1)=O)Nc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.6583 |
| logD: | 2.6583 |
| logSw: | -2.9018 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.139 |
| InChI Key: | LSNGMYQAGLGNLE-UHFFFAOYSA-N |