6,8-Dichloro-7-(4-(4-chlorophenethylcarbamoyl) phenoxy)chroman-4-carboxylic acid

HCID 44599587

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

Related reactions

7 records

Compound notes

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