(R)-2-[2,6-Dibromo-4-(6-bromo-benzo[b]naphtho[2,3-d]thiophen-11-yl)-phenoxy]-3-phenyl-propionic acid, methyl ester

HCID 11803003
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Basic information

Standard SMILES
COC(=O)[C@@H](Cc1ccccc1)Oc1c(Br)cc(-c2c3ccccc3c(Br)c3sc4ccccc4c23)cc1Br
InChIKey
IRZNVRUPXRGCLN-RUZDIDTESA-N
Molecular formula
C32H21Br3O3S
Average molar mass
725.3 g/mol
Monoisotopic mass
721.87615

Names & identifiers

Preferred name
(R)-2-[2,6-Dibromo-4-(6-bromo-benzo[b]naphtho[2,3-d]thiophen-11-yl)-phenoxy]-3-phenyl-propionic acid, methyl ester
IUPAC
methyl (2R)-2-[2,6-dibromo-4-(6-bromonaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]-3-phenylpropanoate

Names & synonyms

IRZNVRUPXRGCLN-RUZDIDTESA-N(R)-2-[2,6-dibromo-4-(6-bromo-benzo[b]naphtho[2,3-d]thiophen-11 -yl)-phenoxy]-3-phenyl-propionic acid, methyl ester(R)-2-[2,6-Dibromo-4-(6-bromo-benzo[b]naphtho[2,3-d]thiophen-11-yl)-phenoxy]-3-phenyl-propionic acid, methyl ester

Database identifiers

PubChem CID
11803003

Properties

Computed structural properties

XLogP
10.8
Topological polar surface area
63.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
39

Related reactions

2 records
New reaction record

Compound notes

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