Basic information
- Standard SMILES
O=C(O)Cc1ccc(COc2cccc(-c3c(-c4ccccc4)nnc4c(Cl)cccc34)c2)cc1- InChIKey
APVRZRYGKHNAKF-UHFFFAOYSA-N- Molecular formula
- C29H21ClN2O3
- Average molar mass
- 480.9 g/mol
Names & identifiers
- Preferred name
- (4-{[3-(8-Chloro-3-phenylcinnolin-4-yl)phenoxy]methyl}phenyl)acetic acid
- IUPAC
- 2-[4-[[3-(8-chloro-3-phenylcinnolin-4-yl)phenoxy]methyl]phenyl]acetic acid
Names & synonyms
SCHEMBL3279728APVRZRYGKHNAKF-UHFFFAOYSA-N(4-{[3-(8-Chloro-3-phenylcinnolin-4-yl)phenoxy]methyl}phenyl)acetic acid
Database identifiers
- PubChem CID
- 11856438
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 679
Related reactions
2 records
Compound notes
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