N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2-fluorobenzamide
Chemical Structure Depiction of
N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2-fluorobenzamide
N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2-fluorobenzamide
Compound characteristics
| Compound ID: | Y502-3138 |
| Compound Name: | N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2-fluorobenzamide |
| Molecular Weight: | 330.75 |
| Molecular Formula: | C16 H12 Cl F N4 O |
| Smiles: | C(c1ccc(cc1)[Cl])n1cnc(NC(c2ccccc2F)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2809 |
| logD: | 2.6958 |
| logSw: | -4.0093 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.551 |
| InChI Key: | BAXSCIQQPOUVQC-UHFFFAOYSA-N |