N-cyclohexyl-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-cyclohexyl-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-cyclohexyl-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C592-2738 |
| Compound Name: | N-cyclohexyl-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C22 H27 N5 O S |
| Smiles: | Cn1cccc1Cc1nnc(n1c1ccccc1)SCC(NC1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6099 |
| logD: | 3.6099 |
| logSw: | -3.8109 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.783 |
| InChI Key: | OGESMENIFLPUON-UHFFFAOYSA-N |