2-chloro-N-{[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-4-fluorobenzamide
Basic information
- CAS
593238-54-1- Standard SMILES
Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=S)NC(=O)c1ccc(F)cc1Cl- InChIKey
VIGYNKBMGLOMHM-UHFFFAOYSA-N- Molecular formula
- C22H14Cl2FN3O2S
- Average molar mass
- 474.3 g/mol
- Monoisotopic mass
- 473.0167814
Names & identifiers
- Preferred name
- 2-chloro-N-{[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-4-fluorobenzamide
- IUPAC
- 2-chloro-N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide
- English name
- Benzamide, 2-chloro-N-[[[5-(5-chloro-2-benzoxazolyl)-2-methylphenyl]amino]thioxomethyl]-4-fluoro- (9CI)
- Molecular formula
- C22H14Cl2FN3O2S
- Molecular weight
- 474.33
Names & synonyms
593238-54-12-Chloro-N-((5-(5-chlorobenzo[d]oxazol-2-yl)-2-methylphenyl)carbamothioyl)-4-fluorobenzamide2-chloro-N-{[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-4-fluorobenzamide2-chloro-N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamideBENZAMIDE, 2-CHLORO-N-[[[5-(5-CHLORO-2-BENZOXAZOLYL)-2-METHYLPHENYL]AMINO]THIOXOMETHYL]-4-FLUORO-DTXSID50366941AKOS0004620912-chloro-N-({[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]amino}carbonothioyl)-4-fluorobenzamideBenzamide, 2-chloro-N-[[[5-(5-chloro-2-benzoxazolyl)-2-methylphenyl]amino]thioxomethyl]-4-fluoro- (9CI)
Database identifiers
- CAS
593238-54-1- PubChem CID
- 2197692
- DTXSID
DTXSID50366941
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 675
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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