1-(4-bromophenyl)-2-[(5-{[(naphthalen-1-yl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-bromophenyl)-2-[(5-{[(naphthalen-1-yl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(4-bromophenyl)-2-[(5-{[(naphthalen-1-yl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | Y508-4233 |
| Compound Name: | 1-(4-bromophenyl)-2-[(5-{[(naphthalen-1-yl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 529.46 |
| Molecular Formula: | C27 H21 Br N4 O S |
| Smiles: | C(c1nnc(n1c1ccccc1)SCC(c1ccc(cc1)[Br])=O)Nc1cccc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.9694 |
| logD: | 5.9694 |
| logSw: | -7.0758 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.472 |
| InChI Key: | NIGPMZHVUPRZDK-UHFFFAOYSA-N |