Basic information
- CAS
590395-09-8- Standard SMILES
O=C(Cc1ccccc1)NC(=S)Nc1ccc2oc(-c3cccnc3)nc2c1- InChIKey
ONFQZHURNBAUFV-UHFFFAOYSA-N- Molecular formula
- C21H16N4O2S
- Average molar mass
- 388.4 g/mol
- Monoisotopic mass
- 388.09939694
Names & identifiers
- Preferred name
- 2-phenyl-N-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl}acetamide
- IUPAC
- 2-phenyl-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]acetamide
- English name
- Benzeneacetamide, N-[[[2-(3-pyridinyl)-5-benzoxazolyl]amino]thioxomethyl]- (9CI)
- Molecular formula
- C21H16N4O2S
- Molecular weight
- 388.44
Names & synonyms
590395-09-82-Phenyl-N-((2-(pyridin-3-yl)benzo[d]oxazol-5-yl)carbamothioyl)acetamide2-phenyl-N-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl}acetamideDTXSID40404447STL381102AKOS002340717Benzeneacetamide, N-[[[2-(3-pyridinyl)-5-benzoxazolyl]amino]thioxomethyl]-Benzeneacetamide, N-[[[2-(3-pyridinyl)-5-benzoxazolyl]amino]thioxomethyl]- (9CI)
Database identifiers
- CAS
590395-09-8- PubChem CID
- 4576573
- DTXSID
DTXSID40404447
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 555
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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