Basic information
- Standard SMILES
CSCC[C@@H](C(=O)Nc1cnc([C@H](O)CO)cn1)N1Cc2c(cccc2C(F)(F)F)C1=O- InChIKey
ASGHHPQZDLMWHI-JKSUJKDBSA-N- Molecular formula
- C20H21F3N4O4S
- Average molar mass
- 470.5 g/mol
- Monoisotopic mass
- 470.12356082
Names & identifiers
- Preferred name
- (S)-N-[5-((S)-1,2-dihydroxy-ethyl)-pyrazin-2-yl]-4-methylsulfanyl-2-(1-oxo-4-trifluoromethyl-1,3-dihydro-isoindol-2-yl)-butyramide
- IUPAC
- (2S)-N-[5-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]-4-methylsulfanyl-2-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]butanamide
Names & synonyms
(S)-N-[5-((S)-1,2-dihydroxy-ethyl)-pyrazin-2-yl]-4-methylsulfanyl-2-(1-oxo-4-trifluoromethyl-1,3-dihydro-isoindol-2-yl)-butyramideSCHEMBL13584333
Database identifiers
- PubChem CID
- 70674571
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 671
Related reactions
2 records
Compound notes
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