500272-23-1
4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-5-(4-BROMOPHENYL)-3-HYDROXY-1-(2-METHOXYETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
Name4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-5-(4-BROMOPHENYL)-3-HYDROXY-1-(2-METHOXYETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
1Identification
【Name】
4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-5-(4-BROMOPHENYL)-3-HYDROXY-1-(2-METHOXYETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
【CAS】
【MDL】
MFCD03302834
【English Synonyms】
【Formula】
C28 H26 Br N O5
【MolWeight】
536.419
【Inchi】
InChI=1S/C28H26BrNO5/c1-18-16-22(35-17-19-6-4-3-5-7-19)12-13-23(18)26(31)24-25(20-8-10-21(29)11-9-20)30(14-15-34-2)28(33)27(24)32/h3-13,16,25,32H,14-15,17H2,1-2H3
【InChIKey】
InChIKey=SVEWAMCLPLPZOI-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccc(cc3)Br)CCOC)O)OCc4ccccc4
【MOL File】
4-[4-(BENZYLOXY)-2-M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-5-(4-BROMOPHENYL)-3-HYDROXY-1-(2-METHOXYETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE.cml