methyl 2-(6-{(1R)-1-[(tert-butylsulfinyl)amino]-ethyl}-5-fluoropyridin-3-yl)-4,6-dichlorobenzoate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COC(=O)c1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NS(=O)C(C)(C)C)c(F)c1- InChIKey
BZHFQPZPWXLRMB-MBCQBFQUSA-N- Molecular formula
- C19H21Cl2FN2O3S
- Average molar mass
- 447.3 g/mol
Names & identifiers
- Preferred name
- methyl 2-(6-{(1R)-1-[(tert-butylsulfinyl)amino]-ethyl}-5-fluoropyridin-3-yl)-4,6-dichlorobenzoate
- IUPAC
- methyl 2-[6-[(1R)-1-(tert-butylsulfinylamino)ethyl]-5-fluoro-3-pyridinyl]-4,6-dichlorobenzoate
Names & synonyms
SCHEMBL3110911BZHFQPZPWXLRMB-MBCQBFQUSA-Nmethyl 2-(6-{(1R)-1-[(tert-butylsulfinyl)amino]-ethyl }-5-fluoropyridin-3-yl)-4,6-dichlorobenzoatemethyl 2-(6-{(1R)-1-[(tert-butylsulfinyl)amino]-ethyl}-5-fluoropyridin-3-yl)-4,6-dichlorobenzoate
Database identifiers
- PubChem CID
- 68515751
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 578
Related reactions
1 records
Compound notes
Loading…