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Basic information
- Standard SMILES
COC(=O)c1ccnc(NC(=O)c2ccc(C(C)C(O)(c3ccnc(Cl)c3)C(F)(F)F)c(Cl)c2)c1- InChIKey
IZLBCDAZENMMKW-UHFFFAOYSA-N- Molecular formula
- C23H18Cl2F3N3O4
- Average molar mass
- 528.3 g/mol
- Monoisotopic mass
- 527.0626459
Names & identifiers
- Preferred name
- 2-{3-Chloro-4-[-2-(2-chloro-pyridin-4-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-benzoylamino}-isonicotinic acid methyl ester
- IUPAC
- methyl 2-[[3-chloro-4-[3-(2-chloro-4-pyridinyl)-4,4,4-trifluoro-3-hydroxybutan-2-yl]benzoyl]amino]pyridine-4-carboxylate
Names & synonyms
2-{3-Chloro-4-[-2-(2-chloro-pyridin-4-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-benzoylamino}-isonicotinic acid methyl esterSCHEMBL479642
Database identifiers
- PubChem CID
- 46941002
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 762
Related reactions
2 records
Compound notes
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