5-(4-chloroanilino)-N-[(4-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-(4-chloroanilino)-N-[(4-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
5-(4-chloroanilino)-N-[(4-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | F414-0196 |
| Compound Name: | 5-(4-chloroanilino)-N-[(4-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 345.76 |
| Molecular Formula: | C16 H13 Cl F N5 O |
| Smiles: | C(c1ccc(cc1)F)NC(c1c(Nc2ccc(cc2)[Cl])[nH]nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9187 |
| logD: | 2.8168 |
| logSw: | -3.6379 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.877 |
| InChI Key: | OPNZBZZTKZNDIK-UHFFFAOYSA-N |