1-((2-(2,6-Dioxopiperidin-3-yl)-1-oxoisoindolin-5-yl)methyl)-3-(4-nitrophenyl)urea

HCID 46200914
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Basic information

Standard SMILES
O=C1CCC(N2Cc3cc(CNC(=O)Nc4ccc([N+](=O)[O-])cc4)ccc3C2=O)C(=O)N1
InChIKey
JPHDXCMDBZFRGQ-UHFFFAOYSA-N
Molecular formula
C21H19N5O6
Average molar mass
437.4 g/mol

Names & identifiers

Preferred name
1-((2-(2,6-Dioxopiperidin-3-yl)-1-oxoisoindolin-5-yl)methyl)-3-(4-nitrophenyl)urea
IUPAC
1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-3-(4-nitrophenyl)urea

Names & synonyms

SCHEMBL61557JPHDXCMDBZFRGQ-UHFFFAOYSA-N1-((2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-5-yl)methyl)-3-(4-nitrophenyl)urea

Database identifiers

PubChem CID
46200914

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
153 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
32

Related reactions

5 records
New reaction record

Linked notes

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