2-[[4-[3-[5-[2-(2-Aminophenyl)ethynyl]-2,4-dimethoxyphenyl]prop-2-enoyl]phenyl]sulfonylamino]acetic acid

HCID 69488017
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Basic information

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

Names & identifiers

Preferred name
2-[[4-[3-[5-[2-(2-Aminophenyl)ethynyl]-2,4-dimethoxyphenyl]prop-2-enoyl]phenyl]sulfonylamino]acetic acid
IUPAC
2-[[4-[3-[5-[2-(2-aminophenyl)ethynyl]-2,4-dimethoxyphenyl]prop-2-enoyl]phenyl]sulfonylamino]acetic acid

Names & synonyms

SCHEMBL5560030

Database identifiers

PubChem CID
69488017

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

1 records
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Compound notes

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