N-(3-chloro-4-fluorophenyl)-5-(3,5-dimethylanilino)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-5-(3,5-dimethylanilino)-1H-1,2,3-triazole-4-carboxamide
N-(3-chloro-4-fluorophenyl)-5-(3,5-dimethylanilino)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | F414-0669 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-5-(3,5-dimethylanilino)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 359.79 |
| Molecular Formula: | C17 H15 Cl F N5 O |
| Smiles: | Cc1cc(C)cc(c1)Nc1c(C(Nc2ccc(c(c2)[Cl])F)=O)nn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.1267 |
| logD: | 4.0653 |
| logSw: | -4.4315 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.555 |
| InChI Key: | CSOBYTXMBQGEBR-UHFFFAOYSA-N |