AC1MGQD4
4-methoxy-N-[2-[5-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide
Also Known As: 4-methoxy-N-[2-[5-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide|4-methoxy-N-{2-[5-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
CAS: 714281-99-9
| Molecular Formula | C23H24N6O5S |
|---|---|
| Molecular Weight | 496.1529 g/mol |
| LogP | 3.0842 |
| Topological Polar Surface Area | 141.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 496.1529 |
| Monoisotopic Mass | 496.1529 |
| Heavy Atoms | 35 |
| Complexity | 1194.1158 |
Chemical Identifiers
| CAS Number | 714281-99-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NCCC2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
AC1MGQD4 (CAS 714281-99-9), with molecular formula C23H24N6O5S and molecular weight 496.1529 g/mol. IUPAC: 4-methoxy-N-[2-[5-[2-(4-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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