2-({5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethoxy-2-nitrophenyl)acetamide
Chemical Structure Depiction of
2-({5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethoxy-2-nitrophenyl)acetamide
2-({5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethoxy-2-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 8013-7889 |
| Compound Name: | 2-({5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethoxy-2-nitrophenyl)acetamide |
| Molecular Weight: | 575.69 |
| Molecular Formula: | C30 H33 N5 O5 S |
| Smiles: | CCOc1ccc(c(c1)[N+]([O-])=O)NC(CSc1nnc(COc2ccc(cc2)C(C)(C)C)n1c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9555 |
| logD: | 6.9349 |
| logSw: | -5.5221 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.844 |
| InChI Key: | RNAWHKKQEXAXGI-UHFFFAOYSA-N |