3-(2-chloro-6-fluorophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
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Basic information
- CAS
712347-10-9- Standard SMILES
N#Cc1c(NC(=O)C2CC(c3c(F)cccc3Cl)=NO2)sc2c1CCCC2- InChIKey
AJZJGMLKRGUNOG-UHFFFAOYSA-N- Molecular formula
- C19H15ClFN3O2S
- Average molar mass
- 403.9 g/mol
- Monoisotopic mass
- 403.0557538
Names & identifiers
- Preferred name
- 3-(2-chloro-6-fluorophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
- IUPAC
- 3-(2-chloro-6-fluorophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
- English name
- 3-(2-chloro-6-fluorophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-4,5-dihydro-5-isoxazolecarboxamide
- Molecular formula
- C19H15ClFN3O2S
- Molecular weight
- 403.8577032
Names & synonyms
3-(2-chloro-6-fluorophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamideSTK341152AKOS000556323AKOS022073993ST50029268AN-329/43211342[3-(6-chloro-2-fluorophenyl)(4,5-dihydroisoxazol-5-yl)]-N-(3-cyano(4,5,6,7-tet rahydrobenzo[b]thiophen-2-yl))carboxamide3-(2-chloro-6-fluorophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-4,5-dihydro-5-isoxazolecarboxamide712347-10-9
Database identifiers
- CAS
712347-10-9- PubChem CID
- 2962191
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 669
Related reactions
0 records
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Compound notes
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