N-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(2,3-dimethylphenyl)-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: | C592-2830 |
| Compound Name: | N-(2,3-dimethylphenyl)-2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 459.61 |
| Molecular Formula: | C26 H29 N5 O S |
| Smiles: | Cc1cccc(c1C)NC(CSc1nnc(Cc2cccn2C)n1c1cccc(C)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3351 |
| logD: | 5.335 |
| logSw: | -5.2446 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.737 |
| InChI Key: | IWLFGRRBZVSUPR-UHFFFAOYSA-N |