N-(3-chloro-4-fluorophenyl)-5-(4-methoxyanilino)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-5-(4-methoxyanilino)-1H-1,2,3-triazole-4-carboxamide
N-(3-chloro-4-fluorophenyl)-5-(4-methoxyanilino)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | F414-0119 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-5-(4-methoxyanilino)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 361.76 |
| Molecular Formula: | C16 H13 Cl F N5 O2 |
| Smiles: | COc1ccc(cc1)Nc1c(C(Nc2ccc(c(c2)[Cl])F)=O)nn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.4161 |
| logD: | 3.3502 |
| logSw: | -3.9041 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.099 |
| InChI Key: | KDSGCQBTARITAI-UHFFFAOYSA-N |