5-[(4-chloroanilino)methyl]-2-[(2-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[(4-chloroanilino)methyl]-2-[(2-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[(4-chloroanilino)methyl]-2-[(2-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8020-2985 |
| Compound Name: | 5-[(4-chloroanilino)methyl]-2-[(2-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 332.76 |
| Molecular Formula: | C16 H14 Cl F N4 O |
| Smiles: | C(C1NC(N(Cc2ccccc2F)N=1)=O)Nc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8882 |
| logD: | 3.8808 |
| logSw: | -4.592 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.641 |
| InChI Key: | XJFNIYJIGVEWHP-UHFFFAOYSA-N |