2-benzyl-5-[(4-fluoroanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2-benzyl-5-[(4-fluoroanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
2-benzyl-5-[(4-fluoroanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8020-2478 |
| Compound Name: | 2-benzyl-5-[(4-fluoroanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 298.32 |
| Molecular Formula: | C16 H15 F N4 O |
| Smiles: | C(C1NN(Cc2ccccc2)C(N=1)=O)Nc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.6293 |
| logD: | 2.6293 |
| logSw: | -2.8597 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.139 |
| InChI Key: | VPDWNSLRGCNWGC-UHFFFAOYSA-N |