76877-33-3
1-[4-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]pyrrole-2,5-dione
Molecular Identity
76877-33-3
1-[4-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]pyrrole-2,5-dione
PubChem CID: 122042
7-diethylamino-3-(4-maleimidophenyl)-4-methylcoumarin is a member of the class of coumarins that is 2H-chromen-2-one substituted by 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl, methyl, and diethylamino groups at positions 3, 4 and 7, respectively. It is a thiol-reactive fluorescent dye. It has a role as a fluorescent dye. It is a member of benzenes, a member of coumarins, a tertiary amino compound and a member of maleimides.
2D Structure
Properties
C24H22N2O4
Molecular Formula
402.40
Molecular Weight
g/mol
402.1580
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
66.9
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
756
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
76877-33-3Demcpm3-Mmdac3-(4-Maleimidophenyl)-4-methyl-7-(diethylamino)coumarin7-Diethylamino-3-(4'-maleimidylphenyl)-4-methylcoumarinN-(4-(7-diethylamino-4-methylcoumarin-3-yl)phenyl)maleimideDS09NL006SD-346DTXSID302276821H-Pyrrole-2,5-dione, 1-(4-(7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-3-yl)phenyl)-3-(4-Maleimidylphenyl)-4-methyl-7-diethylamino coumarinCPM cpdRefChem:162051DTXCID801501737-Diethylamino-3-(4-maleimidophenyl)-4-methylcoumarin
Data from PubChem (NCBI)
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