Basic information
- Standard SMILES
O=C(NCCc1ccc(Cl)cc1)c1ccc(Oc2c(Cl)cc3c(c2Cl)OCCC3C(=O)O)cc1- InChIKey
SCUXKGQUKPCNOA-UHFFFAOYSA-N- Molecular formula
- C25H20Cl3NO5
- Average molar mass
- 520.8 g/mol
Names & identifiers
- Preferred name
- 6,8-Dichloro-7-(4-(4-chlorophenethylcarbamoyl) phenoxy)chroman-4-carboxylic acid
- IUPAC
- 6,8-dichloro-7-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid
Names & synonyms
sodium 6,8-dichloro-7-(4-(4-chlorophenethylcarbamoyl)phenoxy)chroman-4-carboxylateSCHEMBL1569760CHEMBL5878623SCUXKGQUKPCNOA-UHFFFAOYSA-NBDBM230078US9556139, 466,8-dichloro-7-(4-(4-chlorophenethylcarbamoyl) phenoxy)chroman-4-carboxylic acid6,8-Dichloro-7-(4-(4-chlorophenethylcarbamoyl)phenoxy) chroman-4-carboxylic acid6,8-dichloro-7-(4-(4-chlorophenethylcarbamoyl)phenoxy)chroman-4-carboxylic acid
Database identifiers
- PubChem CID
- 44599587
- ChEMBL
CHEMBL5878623
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 696
Related reactions
7 records
Compound notes
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