2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide
2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C592-2840 |
| Compound Name: | 2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 463.58 |
| Molecular Formula: | C25 H26 F N5 O S |
| Smiles: | Cc1cccc(c1C)n1c(Cc2cccn2C)nnc1SCC(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.415 |
| logD: | 4.4126 |
| logSw: | -4.3558 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.757 |
| InChI Key: | ARODHYIYNQKEES-UHFFFAOYSA-N |