Basic information
- Standard SMILES
C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1C(=O)OC(C)(C)c2ccccc21- InChIKey
ORTCLIWDYGFODJ-HSLMYDHPSA-N- Molecular formula
- C22H22F2N2O4
- Average molar mass
- 416.4 g/mol
Names & identifiers
- Preferred name
- 4-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-1,1-dimethyl-3-isochromanone
- IUPAC
- (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1,1-dimethyl-3-oxo-4H-isochromen-4-yl)propanamide
Names & synonyms
SCHEMBL4985338ORTCLIWDYGFODJ-HSLMYDHPSA-N4-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-1,1-dimethyl-3-isochromanone
Database identifiers
- PubChem CID
- 10158833
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 662
Related reactions
12 records
Compound notes
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