Basic information
- Standard SMILES
Cc1oc2cc3sc4ccccc4c3c(-c3cc(I)c(O[C@H](Cc4ccccc4)C(=O)O)c(I)c3)c2c1C- InChIKey
HPFPSGLWBHMGHX-XMMPIXPASA-N- Molecular formula
- C31H22I2O4S
- Average molar mass
- 744.4 g/mol
Names & identifiers
- Preferred name
- (R)-2-[4-(2,3-Dimethyl-1-oxa-9-thia-cyclopenta[b]fluoren-4-yl)-2,6-diiodo-phenoxy]-3-phenyl-propionic acid
- IUPAC
- (2R)-2-[4-(2,3-dimethyl-[1]benzothiolo[3,2-f][1]benzofuran-4-yl)-2,6-diiodophenoxy]-3-phenylpropanoic acid
Names & synonyms
CHEMBL39626(R)-2-[4-(2,3-Dimethyl-1-oxa-9-thia-cyclopenta[b]fluoren-4-yl)-2,6-diiodo-phenoxy]-3-phenyl-propionic acidSCHEMBL7692238HPFPSGLWBHMGHX-XMMPIXPASA-NBDBM50090172(R)-2-[4-(2,3-Dimethyl-1-oxa-9-thia-cyclopenta[b]fluoren-4-yl)-2,6-diiodo-phenoxy] -3-phenyl-propionic acid
Database identifiers
- PubChem CID
- 9896840
- ChEMBL
CHEMBL39626- Nikkaji
- J1.356.773E
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 827
Related reactions
3 records
Compound notes
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