N-(4-acetamidophenyl)-2-({5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-acetamidophenyl)-2-({5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-acetamidophenyl)-2-({5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8010-4303 |
| Compound Name: | N-(4-acetamidophenyl)-2-({5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 501.61 |
| Molecular Formula: | C27 H27 N5 O3 S |
| Smiles: | CC(Nc1ccc(cc1)NC(CSc1nnc(COc2ccc(C)c(C)c2)n1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3218 |
| logD: | 4.3218 |
| logSw: | -4.2612 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.599 |
| InChI Key: | VHODWDNOQOLGPH-UHFFFAOYSA-N |