N-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-fluorobenzamide
Chemical Structure Depiction of
N-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-fluorobenzamide
N-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-fluorobenzamide
Compound characteristics
| Compound ID: | Y500-4553 |
| Compound Name: | N-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-fluorobenzamide |
| Molecular Weight: | 365.19 |
| Molecular Formula: | C16 H11 Cl2 F N4 O |
| Smiles: | C(c1ccc(c(c1)[Cl])[Cl])n1cnc(NC(c2ccc(cc2)F)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.0494 |
| logD: | 3.4644 |
| logSw: | -4.3781 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.551 |
| InChI Key: | RCDVQXHKWHSFGN-UHFFFAOYSA-N |