Basic information
- CAS
590394-64-2- Standard SMILES
O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1cccc(F)c1- InChIKey
PSMWWOIYOOXKAW-UHFFFAOYSA-N- Molecular formula
- C21H14FN3O2S
- Average molar mass
- 391.4 g/mol
- Monoisotopic mass
- 391.07907603
Names & identifiers
- Preferred name
- N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-fluorobenzamide
- IUPAC
- N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-fluorobenzamide
- English name
- Benzamide, N-[[[3-(2-benzoxazolyl)phenyl]amino]thioxomethyl]-3-fluoro- (9CI)
- Molecular formula
- C21H14FN3O2S
- Molecular weight
- 391.42
Names & synonyms
590394-64-2N-((3-(Benzo[d]oxazol-2-yl)phenyl)carbamothioyl)-3-fluorobenzamideN-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-fluorobenzamideDTXSID80403459STL381083AKOS002342832Benzamide, N-[[[3-(2-benzoxazolyl)phenyl]amino]thioxomethyl]-3-fluoro-Benzamide, N-[[[3-(2-benzoxazolyl)phenyl]amino]thioxomethyl]-3-fluoro- (9CI)
Database identifiers
- CAS
590394-64-2- PubChem CID
- 4454783
- DTXSID
DTXSID80403459
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 578
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
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Compound notes
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