Basic information
- Standard SMILES
COC(=O)[C@H](C(C)C)N1Cc2ccc(-c3ccc(NC(=O)Nc4ccc(F)c(F)c4)cn3)cc2C1=O- InChIKey
ZJIUBOHGPCMFPG-QHCPKHFHSA-N- Molecular formula
- C26H24F2N4O4
- Average molar mass
- 494.5 g/mol
Names & identifiers
- Preferred name
- (S)-Methyl 2-(6-(5-(3-(3,4-difluorophenyl)ureido)pyridin-2-yl)-1-oxoisoindolin-2-yl)-3-methylbutanoate
- IUPAC
- methyl (2S)-2-[5-[5-[(3,4-difluorophenyl)carbamoylamino]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]-3-methylbutanoate
Names & synonyms
SCHEMBL2224009ZJIUBOHGPCMFPG-QHCPKHFHSA-N(S)-Methyl 2-(6-(5-(3-(3,4-difluorophenyl)ureido)pyridin-2-yl)-1-oxoisoindolin-2-yl)-3-methylbutanoate
Database identifiers
- PubChem CID
- 67323403
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 815
Related reactions
2 records
Compound notes
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