N-{[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-fluorobenzamide
Basic information
- CAS
6383-22-8- Standard SMILES
O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccccc1F- InChIKey
CIQDQDDZSMQMAS-UHFFFAOYSA-N- Molecular formula
- C21H13ClFN3O2S
- Average molar mass
- 425.9 g/mol
- Monoisotopic mass
- 425.0401037
Names & identifiers
- Preferred name
- N-{[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-fluorobenzamide
- IUPAC
- N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-fluorobenzamide
Names & synonyms
6383-22-8N-{[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-fluorobenzamideSTK184177N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-fluorobenzamideN-[[2-(4-CHLOROPHENYL)BENZO[D]OXAZOL-5-YL]THIOCARBAMOYL]-2-FLUORO-BENZAMIDEOprea1_318893DTXSID60367621AKOS002340171N-({[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]amino}carbonothioyl)-2-fluorobenzamide
Database identifiers
- CAS
6383-22-8- PubChem CID
- 2278645
- DTXSID
DTXSID60367621
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 604
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Compound notes
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