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3-(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide

HCID 66967679
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1oc2ccccc2c1CN(C)C(=O)C=Cc1cnc2c(c1)OC(C)(C)C(=O)N2
InChIKey
FJGKVQKJZCUZMY-UHFFFAOYSA-N
Molecular formula
C23H23N3O4
Average molar mass
405.4 g/mol

Names & identifiers

Preferred name
3-(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide
IUPAC
3-(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide

Names & synonyms

SCHEMBL1254954

Database identifiers

PubChem CID
66967679

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
84.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
30
Formal charge
0
Complexity
694

Related reactions

1 records
New reaction record
HRID 675248 reaction equation
HRID 675248As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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