(S)-Methyl 2-(6-(4-(3-(3,4-difluorophenyl)ureido)phenyl)-1-oxoisoindolin-2-yl)-3-methylbutanoate

HCID 123749611
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Basic information

Standard SMILES
COC(=O)[C@H](C(C)C)N1Cc2ccc(-c3ccc(NC(=O)Nc4ccc(F)c(F)c4)cc3)cc2C1=O
InChIKey
SKGMXSIQBVFINK-DEOSSOPVSA-N
Molecular formula
C27H25F2N3O4
Average molar mass
493.5 g/mol

Names & identifiers

Preferred name
(S)-Methyl 2-(6-(4-(3-(3,4-difluorophenyl)ureido)phenyl)-1-oxoisoindolin-2-yl)-3-methylbutanoate
IUPAC
methyl (2S)-2-[5-[4-[(3,4-difluorophenyl)carbamoylamino]phenyl]-3-oxo-1H-isoindol-2-yl]-3-methylbutanoate

Names & synonyms

SKGMXSIQBVFINK-DEOSSOPVSA-N(S)-Methyl 2-(6-(4-(3-(3,4-difluorophenyl)ureido)phenyl)-1-oxoisoindolin-2-yl)-3-methylbutanoate

Database identifiers

PubChem CID
123749611

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
87.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
36

Related reactions

2 records
New reaction record

Linked notes

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