Basic information
- Standard SMILES
Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)OCC(=O)N3)sc2ccc(F)cc12- InChIKey
QIQHFYQBEMHSLP-ZZXKWVIFSA-N- Molecular formula
- C21H18FN3O3S
- Average molar mass
- 411.5 g/mol
Names & identifiers
- Preferred name
- (E)-N-((5-fluoro-3-methylbenzo[b]thiophen-2-yl)methyl)-N-methyl-3-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)acrylamide
- IUPAC
- (E)-N-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]-N-methyl-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enamide
Names & synonyms
SCHEMBL1253737QIQHFYQBEMHSLP-ZZXKWVIFSA-N(E)-N-((5-fluoro-3-methylbenzo[b]thiophen-2-yl)methyl)-N-methyl-3-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)acrylamide(E)-N-((5-fluoro-3-methylbenzo[b]thiophen-2-yl)methyl)-N-methyl-3-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1.4]oxazin-7-yl)acrylamide
Database identifiers
- PubChem CID
- 16660979
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 663
Related reactions
2 records
Compound notes
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