N-[(furan-2-yl)methyl]-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[(furan-2-yl)methyl]-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K822-0330 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C20 H17 N5 O2 S |
| Smiles: | C(c1ccco1)NC(CSc1nnc(c2ccncc2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8489 |
| logD: | 2.8489 |
| logSw: | -3.0684 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.361 |
| InChI Key: | DAAQKDNTWHJYNF-UHFFFAOYSA-N |