AC1LQ9AV
(E)-N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
Also Known As: (2E)-N-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide|(E)-N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide|N-[(4-benzooxazol-2-ylphenyl)thiocarbamoyl]-3-(3-nitrophenyl)prop-2-enamide
CAS: 429654-60-4
| Molecular Formula | C23H16N4O4S |
|---|---|
| Molecular Weight | 444.08923 g/mol |
| LogP | 4.9294 |
| Topological Polar Surface Area | 110.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.08923 |
| Monoisotopic Mass | 444.08923 |
| Heavy Atoms | 32 |
| Complexity | 1312.6375 |
Chemical Identifiers
| CAS Number | 429654-60-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
AC1LQ9AV (CAS 429654-60-4), with molecular formula C23H16N4O4S and molecular weight 444.08923 g/mol. IUPAC: (E)-N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide.
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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