155271-89-9
(E)-8-(2-BROMO-4,5-METHYLENEDIOXYSTYRYL)-1,3-DIETHYL-7-METHYLXANTHINE
Name(E)-8-(2-BROMO-4,5-METHYLENEDIOXYSTYRYL)-1,3-DIETHYL-7-METHYLXANTHINE
pro_formulaC19 H19 Br N4 O4
1Identification
【Name】
(E)-8-(2-BROMO-4,5-METHYLENEDIOXYSTYRYL)-1,3-DIETHYL-7-METHYLXANTHINE
【CAS】
【MDL】
MFCD01757715
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H19 Br N4 O4
【pro_molWeight】
447.287
【Inchi】
InChI=1S/C19H19BrN4O4/c1-4-23-17-16(18(25)24(5-2)19(23)26)22(3)15(21-17)7-6-11-8-13-14(9-12(11)20)28-10-27-13/h6-9H,4-5,10H2,1-3H3/b7-6+
【InChIKey】
InChIKey=WPFKQWXMYQDFCI-VOTSOKGWSA-N
【SMILES】
CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C=C/c3cc4c(cc3Br)OCO4)C
【MOL File】
(E)-8-(2-BROMO-4,5-M….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:8
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(E)-8-(2-BROMO-4,5-METHYLENEDIOXYSTYRYL)-1,3-DIETHYL-7-METHYLXANTHINE.cml