2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Compound characteristics
| Compound ID: | Y500-5516 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide |
| Molecular Weight: | 515.43 |
| Molecular Formula: | C26 H19 Br N4 O S |
| Smiles: | C(C(Nc1cccc2ccccc12)=O)Sc1nnc(c2ccc(cc2)[Br])n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0689 |
| logD: | 6.0689 |
| logSw: | -7.0758 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.893 |
| InChI Key: | ROQMYBRLTIGBJN-UHFFFAOYSA-N |