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Basic information
- Standard SMILES
CC(NC(=O)c1sc(Cl)cc1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1- InChIKey
NCZZPAVJNDIVAY-UHFFFAOYSA-N- Molecular formula
- C21H17Cl2NO3S
- Average molar mass
- 434.3 g/mol
Names & identifiers
- Preferred name
- 4-[1-({[5-Chloro-3-(3-chlorobenzyl)-2-thienyl]carbonyl}amino)ethyl]-benzoic acid
- IUPAC
- 4-[1-[[5-chloro-3-[(3-chlorophenyl)methyl]thiophene-2-carbonyl]amino]ethyl]benzoic acid
Names & synonyms
SCHEMBL2351632CHEMBL3695934NCZZPAVJNDIVAY-UHFFFAOYSA-NBDBM144430US8969394, 14-[1-({[5-chloro-3-(3-chlorobenzyl)-2-thienyl]carbonyl}amino)ethyl]-benzoic acid
Database identifiers
- PubChem CID
- 24952575
- ChEMBL
CHEMBL3695934
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 556
Related reactions
1 records
Compound notes
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