2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-[(thiophen-2-yl)methyl]-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-[(thiophen-2-yl)methyl]-2H-1,2,3-triazole-4-carboxamide
2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-[(thiophen-2-yl)methyl]-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D217-0490 |
| Compound Name: | 2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-[(thiophen-2-yl)methyl]-2H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 342.42 |
| Molecular Formula: | C17 H18 N4 O2 S |
| Smiles: | Cc1ccc(cc1C)n1nc(CO)c(C(NCc2cccs2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.7271 |
| logD: | 2.7271 |
| logSw: | -2.9537 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.154 |
| InChI Key: | YMAAQNZFPONXRK-UHFFFAOYSA-N |