2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | 8011-0054 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 424.91 |
| Molecular Formula: | C21 H17 Cl N4 O2 S |
| Smiles: | C(c1ccco1)NC(CSc1nnc(c2ccc(cc2)[Cl])n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6927 |
| logD: | 4.6927 |
| logSw: | -5.0763 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.933 |
| InChI Key: | LRBRUTAFIJYVDZ-UHFFFAOYSA-N |