AC1NPV1J
3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole
Also Known As: 3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole|1-{3-[(4-Fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl}-4-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepane
CAS: 5960-59-8
| Molecular Formula | C21H20F4N4O2S2 |
|---|---|
| Molecular Weight | 500.09637 g/mol |
| LogP | 4.1878 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 500.09637 |
| Monoisotopic Mass | 500.09637 |
| Heavy Atoms | 33 |
| Complexity | 1213.5027 |
Chemical Identifiers
| CAS Number | 5960-59-8 |
|---|---|
| SMILES | C1CN(CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C3=NC(=NS3)CC4=CC=C(C=C4)F |
Product Overview
AC1NPV1J (CAS 5960-59-8), with molecular formula C21H20F4N4O2S2 and molecular weight 500.09637 g/mol. IUPAC: 3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
AC1NPV1J is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »