Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC[C@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2C)n1)NC(=O)c1csc(C(C)O)n1- InChIKey
IIIAAFWEOAGLMP-AWKYBWMHSA-N- Molecular formula
- C21H22ClN5O2S
- Average molar mass
- 444 g/mol
Names & identifiers
- Preferred name
- N-((R)-1-(3-(3-chloro-4-cyano-2-methylphenyl)-1H-pyrazol-1-yl)butan-2-yl)-2-(1-hydroxyethyl)thiazole-4-carboxamide
- IUPAC
- N-[(2R)-1-[3-(3-chloro-4-cyano-2-methylphenyl)pyrazol-1-yl]butan-2-yl]-2-(1-hydroxyethyl)-1,3-thiazole-4-carboxamide
Names & synonyms
SCHEMBL12080554IIIAAFWEOAGLMP-AWKYBWMHSA-NN-((R)-1-(3-(3-chloro-4-cyano-2-methylphenyl)-1H-pyrazol-1-yl)butan-2-yl)-2-(1-hydroxyethyl)thiazole-4-carboxamide
Database identifiers
- PubChem CID
- 70656705
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 646
Related reactions
1 records
Compound notes
Loading…