488840-67-1
4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-3-HYDROXY-5-(4-HYDROXYPHENYL)-1-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
Name4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-3-HYDROXY-5-(4-HYDROXYPHENYL)-1-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
1Identification
【Name】
4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-3-HYDROXY-5-(4-HYDROXYPHENYL)-1-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
【CAS】
【MDL】
MFCD03294246
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C31 H26 N2 O5
【pro_molWeight】
506.555
【Inchi】
InChI=1S/C31H26N2O5/c1-20-16-25(38-19-21-6-3-2-4-7-21)13-14-26(20)29(35)27-28(23-9-11-24(34)12-10-23)33(31(37)30(27)36)18-22-8-5-15-32-17-22/h2-17,28,34,36H,18-19H2,1H3
【InChIKey】
InChIKey=HZDWISINCIUVRJ-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccc(cc3)O)Cc4cccnc4)O)OCc5ccccc5
【MOL File】
4-[4-(BENZYLOXY)-2-M….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:7
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-3-HYDROXY-5-(4-HYDROXYPHENYL)-1-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE.cml