AC1M3W33
N-[2-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide
Also Known As: N-[2-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide|N-{2-[5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-2-fluorobenzamide
CAS: 714281-75-1
| Molecular Formula | C22H20BrFN4O2S |
|---|---|
| Molecular Weight | 502.04745 g/mol |
| LogP | 4.3132 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 502.04745 |
| Monoisotopic Mass | 502.04745 |
| Heavy Atoms | 31 |
| Complexity | 1085.3699 |
Chemical Identifiers
| CAS Number | 714281-75-1 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CCNC(=O)C3=CC=CC=C3F |
Product Overview
AC1M3W33 (CAS 714281-75-1), with molecular formula C22H20BrFN4O2S and molecular weight 502.04745 g/mol. IUPAC: N-[2-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide.
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 →
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