Basic information
- Standard SMILES
Cc1ccc(NC(=S)Nc2ccc(-c3ccc4c(c3)C(=O)N([C@H](C(=O)O)C(C)C)C4)cc2)cc1- InChIKey
ULFXLLXRJSHEFC-DEOSSOPVSA-N- Molecular formula
- C27H27N3O3S
- Average molar mass
- 473.6 g/mol
Names & identifiers
- Preferred name
- (S)-3-Methyl-2-(1-oxo-6-(4-(3-p-tolylthioureido)phenyl)isoindolin-2-yl)butanoic acid
- IUPAC
- (2S)-3-methyl-2-[5-[4-[(4-methylphenyl)carbamothioylamino]phenyl]-3-oxo-1H-isoindol-2-yl]butanoic acid
Names & synonyms
SCHEMBL2181154ULFXLLXRJSHEFC-DEOSSOPVSA-N(S)-3-Methyl-2-(1-oxo-6-(4-(3-p-tolylthioureido)phenyl)isoindolin-2-yl)butanoic acid
Database identifiers
- PubChem CID
- 87349995
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 743
Related reactions
1 records
Compound notes
Loading…