Basic information
- Standard SMILES
COC(=O)[C@H](C(C)C)N1Cc2ccc(-c3ccc(NC(=O)Nc4ccc(OC)cc4)cc3)cc2C1=O- InChIKey
WJMVGGRNGCHMGR-VWLOTQADSA-N- Molecular formula
- C28H29N3O5
- Average molar mass
- 487.5 g/mol
- Monoisotopic mass
- 487.21072103
Names & identifiers
- Preferred name
- (S)-Methyl-2-(6-(4-(3-(4-methoxyphenyl)ureido)phenyl)-1-oxoisoindolin-2-yl)-3-methylbutanoate
- IUPAC
- methyl (2S)-2-[5-[4-[(4-methoxyphenyl)carbamoylamino]phenyl]-3-oxo-1H-isoindol-2-yl]-3-methylbutanoate
Names & synonyms
SCHEMBL2181262WJMVGGRNGCHMGR-VWLOTQADSA-N(S)-Methyl-2-(6-(4-(3-(4-methoxyphenyl)ureido)phenyl)-1-oxoisoindolin-2-yl)-3-methylbutanoate
Database identifiers
- PubChem CID
- 67307643
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 773
Related reactions
2 records
Compound notes
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