(4-{3E-[5-(2-amino-phenylethynyl)-2,4-dimethoxyphenyl]acryloyl}benzenesulfonylamino)acetic acid

HCID 69488015
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Basic information

Standard SMILES
COc1cc(OC)c(/C=C/C(=O)c2ccc(S(=O)(=O)NCC(=O)O)cc2)cc1C#Cc1ccccc1N
InChIKey
LMZJCKDMWBUYHJ-SDNWHVSQSA-N
Molecular formula
C27H24N2O7S
Average molar mass
520.6 g/mol
Monoisotopic mass
520.13042228

Names & identifiers

Preferred name
(4-{3E-[5-(2-amino-phenylethynyl)-2,4-dimethoxyphenyl]acryloyl}benzenesulfonylamino)acetic acid
IUPAC
2-[[4-[(E)-3-[5-[2-(2-aminophenyl)ethynyl]-2,4-dimethoxyphenyl]prop-2-enoyl]phenyl]sulfonylamino]acetic acid

Names & synonyms

SCHEMBL5560023LMZJCKDMWBUYHJ-SDNWHVSQSA-N(4-{3E-[5-(2-amino-phenylethynyl)-2,4-dimethoxyphenyl]acryloyl}benzenesulfonylamino)acetic acid

Database identifiers

PubChem CID
69488015

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
153 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
11
Heavy atoms
37

Related reactions

2 records
New reaction record

Compound notes

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