AC1LPWA3
N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide
Also Known As: N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide|N-((2-(2-chloro-4,5-difluorophenyl)benzo[d]oxazol-5-yl)carbamothioyl)-3-nitrobenzamide|N-[[2-(2-chloro-4,5-difluoro-phenyl)benzooxazol-5-yl]thiocarbamoyl]-3-nitro-benzamide|N-{[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-nitrobenzamide
| Molecular Formula | C21H11ClF2N4O4S |
|---|---|
| Molecular Weight | 488.01575 g/mol |
| LogP | 5.4614 |
| Topological Polar Surface Area | 110.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 488.01575 |
| Monoisotopic Mass | 488.01575 |
| Heavy Atoms | 33 |
| Complexity | 1443.3097 |
Chemical Identifiers
| CAS Number | 528588-98-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4Cl)F)F |
Product Overview
AC1LPWA3 (CAS 528588-98-9), with molecular formula C21H11ClF2N4O4S and molecular weight 488.01575 g/mol. IUPAC: N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide.
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