Basic information
- Standard SMILES
CCc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)OCC(=O)N3)oc2ccccc12- InChIKey
ZQTDVOJCPVVGKJ-CMDGGOBGSA-N- Molecular formula
- C22H21N3O4
- Average molar mass
- 391.4 g/mol
- Monoisotopic mass
- 391.15320616
Names & identifiers
- Preferred name
- (E)-N-((3-ethylbenzofuran-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-[(3-ethyl-1-benzofuran-2-yl)methyl]-N-methyl-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enamide
Names & synonyms
SCHEMBL1253517ZQTDVOJCPVVGKJ-CMDGGOBGSA-N(E)-N-((3-ethylbenzofuran-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
- 16660978
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 640
Related reactions
2 records
Compound notes
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