2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-4-methylphenyl)acetamide
2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C592-2639 |
| Compound Name: | 2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-4-methylphenyl)acetamide |
| Molecular Weight: | 466 |
| Molecular Formula: | C24 H24 Cl N5 O S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSc1nnc(Cc2cccn2C)n1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4317 |
| logD: | 5.4315 |
| logSw: | -5.8804 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.993 |
| InChI Key: | OHOCGHQEQFBFLB-UHFFFAOYSA-N |