N-(2,5-dimethoxyphenyl)-2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(2,5-dimethoxyphenyl)-2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C592-2833 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C26 H29 N5 O3 S |
| Smiles: | Cc1cccc(c1C)n1c(Cc2cccn2C)nnc1SCC(Nc1cc(ccc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.388 |
| logD: | 4.3876 |
| logSw: | -4.4219 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.911 |
| InChI Key: | NQECZGIIONTBPV-UHFFFAOYSA-N |