151488-11-8
5,7-DIMETHYL-2-ETHYL-3-[[4-[2(N-BUTYLOXYCARBONYLSULFONAMIDO)-5-ISOBUTYL-3-THIENYL]PHENYL]METHYL]IMIDAZO[4,5,6]PYRIDINE
Name5,7-DIMETHYL-2-ETHYL-3-[[4-[2(N-BUTYLOXYCARBONYLSULFONAMIDO)-5-ISOBUTYL-3-THIENYL]PHENYL]METHYL]IMIDAZO[4,5,6]PYRIDINE
1Identification
【Name】
5,7-DIMETHYL-2-ETHYL-3-[[4-[2(N-BUTYLOXYCARBONYLSULFONAMIDO)-5-ISOBUTYL-3-THIENYL]PHENYL]METHYL]IMIDAZO[4,5,6]PYRIDINE
【CAS】
【MDL】
MFCD00915204
【English Synonyms】
【Formula】
C30 H38 N4 O4 S2
【MolWeight】
582.786
【Inchi】
InChI=1S/C30H38N4O4S2/c1-7-9-14-38-30(35)33-40(36,37)29-25(17-24(39-29)15-19(3)4)23-12-10-22(11-13-23)18-34-26(8-2)32-27-20(5)16-21(6)31-28(27)34/h10-13,16-17,19H,7-9,14-15,18H2,1-6H3,(H,33,35)
【InChIKey】
InChIKey=RINPELQWLUGERM-UHFFFAOYSA-N
【SMILES】
CCCCOC(=O)NS(=O)(=O)c1c(cc(s1)CC(C)C)c2ccc(cc2)Cn3c(nc4c3nc(cc4C)C)CC
【MOL File】
5,7-DIMETHYL-2-ETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5,7-DIMETHYL-2-ETHYL-3-[[4-[2(N-BUTYLOXYCARBONYLSULFONAMIDO)-5-ISOBUTYL-3-THIENYL]PHENYL]METHYL]IMIDAZO[4,5,6]PYRIDINE.cml