2-[(3-Benzofuran-2-yl-prop-2-ynyl)-(2,4-dichloro-benzoyl)-amino]-3-phenyl-propionic acid methyl ester

HCID 69739728
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Basic information

Standard SMILES
COC(=O)C(Cc1ccccc1)N(CC#Cc1cc2ccccc2o1)C(=O)c1ccc(Cl)cc1Cl
InChIKey
KALXNTDRNMYBKR-UHFFFAOYSA-N
Molecular formula
C28H21Cl2NO4
Average molar mass
506.4 g/mol

Names & identifiers

Preferred name
2-[(3-Benzofuran-2-yl-prop-2-ynyl)-(2,4-dichloro-benzoyl)-amino]-3-phenyl-propionic acid methyl ester
IUPAC
methyl 2-[3-(1-benzofuran-2-yl)prop-2-ynyl-(2,4-dichlorobenzoyl)amino]-3-phenylpropanoate

Names & synonyms

SCHEMBL6317203KALXNTDRNMYBKR-UHFFFAOYSA-N2-[(3-Benzofuran-2-yl-prop-2-ynyl)-(2,4-dichloro-benzoyl)-amino]-3-phenyl-propionic acid methyl ester

Database identifiers

PubChem CID
69739728

Properties

Computed structural properties

XLogP
6.9
Topological polar surface area
59.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
35

Related reactions

2 records
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Compound notes

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