2-[4-Propylamino-5-[5-(3-methyl-4-chlorophenyl)benzoxazol-2-yl]phenyl]-1,3-dioxo-2,3-dihydro-1h-isoindole-5-carboxylic acid

HCID 21884533
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Basic information

Standard SMILES
CCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccc(Cl)c(C)c3)ccc2o1
InChIKey
CKQTUVPLEWRRRX-UHFFFAOYSA-N
Molecular formula
C32H24ClN3O5
Average molar mass
566 g/mol

Names & identifiers

Preferred name
2-[4-Propylamino-5-[5-(3-methyl-4-chlorophenyl)benzoxazol-2-yl]phenyl]-1,3-dioxo-2,3-dihydro-1h-isoindole-5-carboxylic acid
IUPAC
2-[3-[5-(4-chloro-3-methylphenyl)-1,3-benzoxazol-2-yl]-4-(propylamino)phenyl]-1,3-dioxoisoindole-5-carboxylic acid

Names & synonyms

SCHEMBL5835005CKQTUVPLEWRRRX-UHFFFAOYSA-N2-[4-propylamino-5-[5-(3-methyl-4-chlorophenyl)benzoxazol-2-yl]phenyl]-1,3-dioxo-2,3-dihydro-1h-isoindole-5-carboxylic acid

Database identifiers

PubChem CID
21884533

Properties

Computed structural properties

XLogP
7
Topological polar surface area
113 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
41

Related reactions

1 records
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Compound notes

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