2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y508-5596 |
| Compound Name: | 2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 432.34 |
| Molecular Formula: | C18 H18 Br N5 O S |
| Smiles: | CC(c1nnc(n1c1ccccc1)SCC(N)=O)Nc1ccc(cc1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3066 |
| logD: | 3.3066 |
| logSw: | -3.7378 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.041 |
| InChI Key: | COPWLTCODUORDI-LBPRGKRZSA-N |