5-(3-chloroanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-(3-chloroanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide
5-(3-chloroanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | F414-0906 |
| Compound Name: | 5-(3-chloroanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 401.85 |
| Molecular Formula: | C19 H20 Cl N5 O3 |
| Smiles: | COc1ccc(CCNC(c2c(Nc3cccc(c3)[Cl])[nH]nn2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.499 |
| logD: | 2.4123 |
| logSw: | -3.4266 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.98 |
| InChI Key: | YIYYVIVVJHJAEM-UHFFFAOYSA-N |