N-(2,5-dimethylphenyl)-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(2,5-dimethylphenyl)-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C592-3974 |
| Compound Name: | N-(2,5-dimethylphenyl)-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C21 H27 N5 O2 S |
| Smiles: | Cc1ccc(C)c(c1)NC(CSc1nnc(Cc2cccn2C)n1CCOC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4918 |
| logD: | 2.4918 |
| logSw: | -2.733 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.887 |
| InChI Key: | VHMBAGADLCDDGK-UHFFFAOYSA-N |