4-[3-hydroxy-3-(3-methoxythiophen-2-yl)prop-1-ynyl]-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

HCID 69947747
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Basic information

Standard SMILES
COc1cc[nH]c1C=C1C(=O)Nc2cccc(C#CC(O)c3sccc3OC)c21
InChIKey
YJCIDAJKFWKYCS-UHFFFAOYSA-N
Molecular formula
C22H18N2O4S
Average molar mass
406.5 g/mol

Names & identifiers

Preferred name
4-[3-hydroxy-3-(3-methoxythiophen-2-yl)prop-1-ynyl]-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
IUPAC
4-[3-hydroxy-3-(3-methoxythiophen-2-yl)prop-1-ynyl]-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

Names & synonyms

SCHEMBL6963730

Database identifiers

PubChem CID
69947747

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
112 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
29

Related reactions

1 records
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Compound notes

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