2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenyl-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenyl-N-(propan-2-yl)acetamide
2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenyl-N-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | 8013-9126 |
| Compound Name: | 2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenyl-N-(propan-2-yl)acetamide |
| Molecular Weight: | 528.72 |
| Molecular Formula: | C31 H36 N4 O2 S |
| Smiles: | CC(C)N(C(CSc1nnc(COc2ccc(cc2)C(C)(C)C)n1c1ccccc1C)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.8898 |
| logD: | 6.8898 |
| logSw: | -5.6956 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.105 |
| InChI Key: | SMRBGZNCGYIXKC-UHFFFAOYSA-N |