(+/-)-3-Carboxymethyl-4-(3,5-dichloro-4-pyridylamino-carbonyl)-7-methoxy-2,3-dihydrobenzofuran

HCID 22734342
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Basic information

Standard SMILES
COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c1OCC2CC(=O)O
InChIKey
XSIHTGSZVFKCNB-UHFFFAOYSA-N
Molecular formula
C17H14Cl2N2O5
Average molar mass
397.2 g/mol

Names & identifiers

Preferred name
(+/-)-3-Carboxymethyl-4-(3,5-dichloro-4-pyridylamino-carbonyl)-7-methoxy-2,3-dihydrobenzofuran
IUPAC
2-[4-[(3,5-dichloro-4-pyridinyl)carbamoyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid

Names & synonyms

SCHEMBL5723082XSIHTGSZVFKCNB-UHFFFAOYSA-N(+/-)-3-Carboxymethyl-4-(3,5-dichloro-4-pyridylamino-carbonyl)-7-methoxy-2,3-dihydrobenzofuran(+/-)-3-Carboxymethyl-4-(3,5-dichloro-4-pyridylaminocarbonyl)-7-methoxy-2,3-dihydrobenzofuran

Database identifiers

PubChem CID
22734342

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
97.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
26

Related reactions

41 records
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Compound notes

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