Basic information
- Standard SMILES
COCCn1ccc(NC(=O)[C@H](CC2CCCC2)c2ccc(S(C)(=O)=O)c(C#N)c2)n1- InChIKey
ZZLRRYIYLRAXRM-LJQANCHMSA-N- Molecular formula
- C22H28N4O4S
- Average molar mass
- 444.5 g/mol
Names & identifiers
- Preferred name
- (R)-2-(3-cyano-4-methanesulfonyl-phenyl)-3-cyclopentyl-N-[1-(2-methoxy-ethyl)-1H-pyrazol-3-yl]-propionamide
- IUPAC
- (2R)-2-(3-cyano-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide
Names & synonyms
SCHEMBL1858966ZZLRRYIYLRAXRM-LJQANCHMSA-N(R)-2-(3-cyano-4-methanesulfonyl-phenyl)-3-cyclopentyl-N-[1-(2-methoxy-ethyl)-1H-pyrazol-3-yl]-propionamide
Database identifiers
- PubChem CID
- 67189013
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 753
Related reactions
1 records
Compound notes
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