618072-36-9
5-(3-BROMOPHENYL)-4-(2-FUROYL)-3-HYDROXY-1-(TETRAHYDRO-2-FURANYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
Name5-(3-BROMOPHENYL)-4-(2-FUROYL)-3-HYDROXY-1-(TETRAHYDRO-2-FURANYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
pro_formulaC20 H18 Br N O5
1Identification
【Name】
5-(3-BROMOPHENYL)-4-(2-FUROYL)-3-HYDROXY-1-(TETRAHYDRO-2-FURANYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
【CAS】
【MDL】
MFCD03213783
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H18 Br N O5
【pro_molWeight】
432.268
【Inchi】
InChI=1S/C20H18BrNO5/c21-13-5-1-4-12(10-13)17-16(18(23)15-7-3-9-27-15)19(24)20(25)22(17)11-14-6-2-8-26-14/h1,3-5,7,9-10,14,17,24H,2,6,8,11H2
【InChIKey】
InChIKey=JYEZCLMGLBLDGW-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)Br)C2C(=C(C(=O)N2CC3CCCO3)O)C(=O)c4ccco4
【MOL File】
5-(3-BROMOPHENYL)-4-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-(3-BROMOPHENYL)-4-(2-FUROYL)-3-HYDROXY-1-(TETRAHYDRO-2-FURANYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE.cml