Basic information
- Standard SMILES
O=C(N[C@@H](CC1CC1)c1nccs1)c1cccc(-c2cccc(Cl)c2)n1- InChIKey
MLVAGLLUHSSLOL-SFHVURJKSA-N- Molecular formula
- C20H18ClN3OS
- Average molar mass
- 383.9 g/mol
Names & identifiers
- Preferred name
- 6-(3-Chloro-phenyl)-pyridine-2-carboxylic acid ((S)-2-cyclopropyl-1-thiazol-2-yl-ethyl)-amide
- IUPAC
- 6-(3-chlorophenyl)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
Names & synonyms
CHEMBL3939093SCHEMBL14226199MLVAGLLUHSSLOL-SFHVURJKSA-NBDBM210267US9290451, 606-(3-Chloro-phenyl)-pyridine-2-carboxylic acid ((S)-2-cyclopropyl-1-thiazol-2-yl-ethyl)-amide
Database identifiers
- PubChem CID
- 71105571
- ChEMBL
CHEMBL3939093
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 490
Related reactions
2 records
Compound notes
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