AC1LQAH8
N-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide
Also Known As: Oprea1_813940|N-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide|N-((2-(2-chlorophenyl)benzo[d]oxazol-5-yl)carbamothioyl)-2-methyl-3-nitrobenzamide|N-[[2-(2-chlorophenyl)benzooxazol-5-yl]thiocarbamoyl]-2-methyl-3-nitro-benzamide|N-{[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-methyl-3-nitrobenzamide
| Molecular Formula | C22H15ClN4O4S |
|---|---|
| Molecular Weight | 466.05026 g/mol |
| LogP | 5.49162 |
| Topological Polar Surface Area | 110.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.05026 |
| Monoisotopic Mass | 466.05026 |
| Heavy Atoms | 32 |
| Complexity | 1385.626 |
Chemical Identifiers
| CAS Number | 429654-81-9 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4Cl |
Product Overview
AC1LQAH8 (CAS 429654-81-9), with molecular formula C22H15ClN4O4S and molecular weight 466.05026 g/mol. IUPAC: N-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide.
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