AC1MGQ9G
2-fluoro-N-[2-[5-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide
Also Known As: 2-fluoro-N-[2-[5-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide|2-fluoro-N-{2-[5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
CAS: 714281-68-2
| Molecular Formula | C23H23FN6O4S |
|---|---|
| Molecular Weight | 498.14856 g/mol |
| LogP | 3.52312 |
| Topological Polar Surface Area | 132.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 498.14856 |
| Monoisotopic Mass | 498.14856 |
| Heavy Atoms | 35 |
| Complexity | 1262.5586 |
Chemical Identifiers
| CAS Number | 714281-68-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CCNC(=O)C3=CC=CC=C3F)[N+](=O)[O-] |
Product Overview
AC1MGQ9G (CAS 714281-68-2), with molecular formula C23H23FN6O4S and molecular weight 498.14856 g/mol. IUPAC: 2-fluoro-N-[2-[5-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide.
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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