AC1M1B3R
N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide
Also Known As: Oprea1_162639|N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide|N-((4-chloro-3-(5-ethylbenzo[d]oxazol-2-yl)phenyl)carbamothioyl)-4-fluorobenzamide|N-({[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]amino}carbonothioyl)-4-fluorobenzamide|N-[[4-chloro-3-(5-ethylbenzooxazol-2-yl)phenyl]thiocarbamoyl]-4-fluoro-benzamide|N-{[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide
| Molecular Formula | C23H17ClFN3O2S |
|---|---|
| Molecular Weight | 453.0714 g/mol |
| LogP | 5.9765 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.0714 |
| Monoisotopic Mass | 453.0714 |
| Heavy Atoms | 31 |
| Complexity | 1287.9762 |
Chemical Identifiers
| CAS Number | 428445-99-2 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)F)Cl |
Product Overview
AC1M1B3R (CAS 428445-99-2), with molecular formula C23H17ClFN3O2S and molecular weight 453.0714 g/mol. IUPAC: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide.
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