Basic information
- Standard SMILES
O=C(NC(=O)c1cc(F)c(F)cc1Cl)Nc1cc(-c2ccc(F)cc2)sc1C(=O)O- InChIKey
OVFLWMGIBHGHDI-UHFFFAOYSA-N- Molecular formula
- C19H10ClF3N2O4S
- Average molar mass
- 454.8 g/mol
- Monoisotopic mass
- 454.0001902
Names & identifiers
- Preferred name
- 3-[3-(2-Chloro-4,5-difluorobenzoyl)ureido]-5-(4-fluorophenyl)thiophene-2-carboxylic acid
- IUPAC
- 3-[(2-chloro-4,5-difluorobenzoyl)carbamoylamino]-5-(4-fluorophenyl)thiophene-2-carboxylic acid
Names & synonyms
SCHEMBL5619197OVFLWMGIBHGHDI-UHFFFAOYSA-N3-[3-(2-Chloro-4,5-difluorobenzoyl)ureido]-5-(4-fluorophenyl)thiophene-2-carboxylic acid
Database identifiers
- PubChem CID
- 9825211
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 668
Related reactions
2 records
Compound notes
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