(R)-2-[4-(2,3-Dimethyl-1-oxa-9-thia-cyclopenta[b]fluoren-4-yl)-2,6-diiodo-phenoxy]-3-phenyl-propionic acid

HCID 9896840

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

Related reactions

3 records

Compound notes

Loading…