3-[[1-[(2-Methyl-1-benzofuran-6-yl)amino]-2-nitroethenyl]amino]-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one

HCID 59049385
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Basic information

Standard SMILES
Cc1cc2ccc(NC(=C[N+](=O)[O-])NC3CCCCN(CC(=O)N4CCCC4)C3=O)cc2o1
InChIKey
ZMXNRHSEMHUESD-UHFFFAOYSA-N
Molecular formula
C23H29N5O5
Average molar mass
455.5 g/mol

Names & identifiers

Preferred name
3-[[1-[(2-Methyl-1-benzofuran-6-yl)amino]-2-nitroethenyl]amino]-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one
IUPAC
3-[[1-[(2-methyl-1-benzofuran-6-yl)amino]-2-nitroethenyl]amino]-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one

Database identifiers

PubChem CID
59049385

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
124 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
33

Related reactions

1 records
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Compound notes

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