N-tert-butyl-2-({5-[(4-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-tert-butyl-2-({5-[(4-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-tert-butyl-2-({5-[(4-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y508-3180 |
| Compound Name: | N-tert-butyl-2-({5-[(4-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C22 H27 N5 O S |
| Smiles: | Cc1ccc(cc1)NCc1nnc(n1c1ccccc1)SCC(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9186 |
| logD: | 3.9185 |
| logSw: | -3.8869 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.762 |
| InChI Key: | NCJXQJILCLCCEC-UHFFFAOYSA-N |