4-(5-(3-(dimethylamino)prop-1-en-1-yl)thiophen-2-yl)-3-(1-hydroxyethyl)-1H-isochromen-1-one

HCID 123735643
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Basic information

Standard SMILES
CC(O)c1oc(=O)c2ccccc2c1-c1ccc(C=CCN(C)C)s1
InChIKey
SYZNFLRDHRSFJG-UHFFFAOYSA-N
Molecular formula
C20H21NO3S
Average molar mass
355.5 g/mol

Names & identifiers

Preferred name
4-(5-(3-(dimethylamino)prop-1-en-1-yl)thiophen-2-yl)-3-(1-hydroxyethyl)-1H-isochromen-1-one
IUPAC
4-[5-[3-(dimethylamino)prop-1-enyl]thiophen-2-yl]-3-(1-hydroxyethyl)isochromen-1-one

Names & synonyms

SCHEMBL16783830SYZNFLRDHRSFJG-UHFFFAOYSA-N4-(5-(3-(dimethylamino)prop-1-en-1-yl)thiophen-2-yl)-3-(1-hydroxyethyl)-1H-isochromen-1-one

Database identifiers

PubChem CID
123735643

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
78 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
25

Related reactions

2 records
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Compound notes

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