Basic information
- Standard SMILES
O=C(O)Cc1ccc(Oc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)c(-c2cccs2)c1- InChIKey
KFIDIFZVYZWNQI-UHFFFAOYSA-N- Molecular formula
- C27H22ClNO4S
- Average molar mass
- 492 g/mol
Names & identifiers
- Preferred name
- 2-(4-(4-((4-Chlorophenethyl)carbamoyl)phenoxy)-3-(thiophen-2-yl)phenyl)acetic acid
- IUPAC
- 2-[4-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenoxy]-3-thiophen-2-ylphenyl]acetic acid
Names & synonyms
SCHEMBL2979626KFIDIFZVYZWNQI-UHFFFAOYSA-N2-(4-(4-((4-chlorophenethyl)carbamoyl)phenoxy)-3-(thiophen-2-yl)phenyl)acetic acid
Database identifiers
- PubChem CID
- 59403157
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 663
Related reactions
3 records
Compound notes
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