N-[(furan-2-yl)methyl]-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[(furan-2-yl)methyl]-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D489-1023 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C22 H20 N4 O2 S |
| Smiles: | Cc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5213 |
| logD: | 4.5213 |
| logSw: | -4.2522 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.933 |
| InChI Key: | IXWOGTPZIQRWRV-UHFFFAOYSA-N |