AC1N2N9D
N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-1-ethylpyrazole-4-carboxamide
Also Known As: AK-968/41026373|N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-1-ethylpyrazole-4-carboxamide|N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide|N-[(3-chloro-2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-1-ethyl-pyrazole-4-carboxamide|N-{3-chloro-2-hydroxy-5-nitrophenyl}-N'-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]thiourea|N-(3-CHLORO-2-HYDROXY-5-NITROPHENYL)-N'-[(1-ETHYL-1H-PYRAZOL-4-YL)CARBONYL]THIOUREA
| Molecular Formula | C13H12ClN5O4S |
|---|---|
| Molecular Weight | 369.02985 g/mol |
| LogP | 2.297 |
| Topological Polar Surface Area | 122.32 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.02985 |
| Monoisotopic Mass | 369.02985 |
| Heavy Atoms | 24 |
| Complexity | 822.68854 |
Chemical Identifiers
| CAS Number | 494746-46-2 |
|---|---|
| SMILES | CCN1C=C(C=N1)C(=O)NC(=S)NC2=C(C(=CC(=C2)[N+](=O)[O-])Cl)O |
Product Overview
AC1N2N9D (CAS 494746-46-2), with molecular formula C13H12ClN5O4S and molecular weight 369.02985 g/mol. IUPAC: N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-1-ethylpyrazole-4-carboxamide.
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