1-[(4-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-[(4-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
1-[(4-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L116-1859 |
| Compound Name: | 1-[(4-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 437.88 |
| Molecular Formula: | C22 H20 Cl N5 O3 |
| Smiles: | COc1ccc(cc1OC)NC(c1c(n2cccc2)n(Cc2ccc(cc2)[Cl])nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8992 |
| logD: | 3.8992 |
| logSw: | -4.443 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.089 |
| InChI Key: | KFHBJWVWWUZGAX-UHFFFAOYSA-N |