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Basic information
- Standard SMILES
CC1(O)CCC(CC(C(=O)Nc2cnccn2)c2ccc(S(C)(=O)=O)c(Cl)c2)C1- InChIKey
ALQVHXBODSBABM-UHFFFAOYSA-N- Molecular formula
- C20H24ClN3O4S
- Average molar mass
- 437.9 g/mol
Names & identifiers
- Preferred name
- 2-(3-chloro-4-methanesulfonyl-phenyl)-3-(3-hydroxy-3-methyl-cyclopentyl)-N-pyrazin-2-yl-propionamide
- IUPAC
- 2-(3-chloro-4-methylsulfonylphenyl)-3-(3-hydroxy-3-methylcyclopentyl)-N-pyrazin-2-ylpropanamide
Names & synonyms
SCHEMBL2642094SCHEMBL14423149ALQVHXBODSBABM-UHFFFAOYSA-N2-(3-chloro-4-methanesulfonyl-phenyl)-3-(3-hydroxy-3-methyl-cyclopentyl)-N-pyrazin-2-yl-propionamide
Database identifiers
- PubChem CID
- 10071791
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 686
Related reactions
2 records
Compound notes
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