Basic information
- Standard SMILES
COc1ccccc1NC(=S)Nc1ccc(-c2ccc3c(c2)CN([C@H](C(=O)O)C(C)C)C3=O)cc1- InChIKey
HORWSWOJMRAPAF-DEOSSOPVSA-N- Molecular formula
- C27H27N3O4S
- Average molar mass
- 489.6 g/mol
- Monoisotopic mass
- 489.17222752
Names & identifiers
- Preferred name
- (S)-2-(5-(4-(3-(2-Methoxyphenyl)thioureido)phenyl)-1-oxoisoindolin-2-yl)-3-methylbutanoic acid
- IUPAC
- (2S)-2-[6-[4-[(2-methoxyphenyl)carbamothioylamino]phenyl]-3-oxo-1H-isoindol-2-yl]-3-methylbutanoic acid
Names & synonyms
SCHEMBL2177246HORWSWOJMRAPAF-DEOSSOPVSA-N(S)-2-(5-(4-(3-(2-Methoxyphenyl)thioureido)phenyl)-1-oxoisoindolin-2-yl)-3-methylbutanoic acid
Database identifiers
- PubChem CID
- 87349463
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 770
Related reactions
1 records
Compound notes
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