tert-butyl 3-(3-(4-chloro-2-(1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-ylcarbamoyl)phenylcarbamoyl)benzylthio)propanoate
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)CCSCc1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)c1- InChIKey
YOGSYUFVAQRBJE-UHFFFAOYSA-N- Molecular formula
- C32H30ClF3N4O4S
- Average molar mass
- 659.1 g/mol
Names & identifiers
- Preferred name
- tert-butyl 3-(3-(4-chloro-2-(1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-ylcarbamoyl)phenylcarbamoyl)benzylthio)propanoate
- IUPAC
- tert-butyl 3-[[3-[[4-chloro-2-[[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoate
Names & synonyms
tert-butyl 3-(3-(4-chloro-2-(1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-ylcarbamoyl)phenylcarbamoyl)benzylthio)propanoateSCHEMBL10225251
Database identifiers
- PubChem CID
- 68069786
Properties
Computed structural propertiesFilling in
- XLogP
- 7.2
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
4 records
Compound notes
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