Basic information
- Standard SMILES
CC(O)Cn1ccc(NC(=O)[C@H](CC2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)n1- InChIKey
MBKOQMDIHGLGDP-FBMWCMRBSA-N- Molecular formula
- C21H28ClN3O4S
- Average molar mass
- 454 g/mol
Names & identifiers
- Preferred name
- 2(R)-(3-chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-N-[1-(2-hydroxy-propyl)-1H-pyrazol-3-yl]-propionamide
- IUPAC
- (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(2-hydroxypropyl)pyrazol-3-yl]propanamide
Names & synonyms
SCHEMBL1863202MBKOQMDIHGLGDP-FBMWCMRBSA-N2(R)-(3-chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-N-[1-(2-hydroxy-propyl)-1H-pyrazol-3-yl]-propionamide
Database identifiers
- PubChem CID
- 67190881
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 680
Related reactions
1 records
Compound notes
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