512178-19-7
1-(4-BROMOPHENYL)-5-CYCLOHEXYL-1,5-DIHYDRO-3-HYDROXY-4-(1-OXOHEXYL)-2H-PYRROL-2-ONE
Name1-(4-BROMOPHENYL)-5-CYCLOHEXYL-1,5-DIHYDRO-3-HYDROXY-4-(1-OXOHEXYL)-2H-PYRROL-2-ONE
1Identification
【Name】
1-(4-BROMOPHENYL)-5-CYCLOHEXYL-1,5-DIHYDRO-3-HYDROXY-4-(1-OXOHEXYL)-2H-PYRROL-2-ONE
【CAS】
【MDL】
MFCD11616177
【English Synonyms】
【Formula】
C22 H28 Br N O3
【MolWeight】
434.371
【Inchi】
InChI=1S/C22H28BrNO3/c1-2-3-5-10-18(25)19-20(15-8-6-4-7-9-15)24(22(27)21(19)26)17-13-11-16(23)12-14-17/h11-15,20,26H,2-10H2,1H3
【InChIKey】
InChIKey=XBHWEGOSNNPLJL-UHFFFAOYSA-N
【SMILES】
CCCCCC(=O)C1=C(C(=O)N(C1C2CCCCC2)c3ccc(cc3)Br)O
【MOL File】
1-(4-BROMOPHENYL)-5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(4-BROMOPHENYL)-5-CYCLOHEXYL-1,5-DIHYDRO-3-HYDROXY-4-(1-OXOHEXYL)-2H-PYRROL-2-ONE.cml