4{4-[3-(4-Chloro-3-trifluoromethylphenyl)-ureido]-3-fluorophenoxy}-pyridine-2-carboxylic acid methylamide phenylsulfonate
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Basic information
- Standard SMILES
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1.O=S(=O)(O)c1ccccc1- InChIKey
GOFWMRYICXEEAW-UHFFFAOYSA-N- Molecular formula
- C27H21ClF4N4O6S
- Average molar mass
- 641 g/mol
Names & identifiers
- Preferred name
- 4{4-[3-(4-Chloro-3-trifluoromethylphenyl)-ureido]-3-fluorophenoxy}-pyridine-2-carboxylic acid methylamide phenylsulfonate
- IUPAC
- benzenesulfonic acid;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
Names & synonyms
4{4-[3-(4-chloro-3-trifluoromethylphenyl)-ureido]-3-fluorophenoxy}-pyridine-2-carboxylic acid methylamide phenylsulfonateSCHEMBL2555800
Database identifiers
- PubChem CID
- 87405482
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 870
Related reactions
1 records
Compound notes
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