bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;4,4-dimethylcyclohexan-1-ol;2-(4,4-dimethylcyclohexyl)oxy-2-phenylethanol;2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;palladium;(2S)-2-phenyloxirane;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane)

C232H275AlBr2F9N11O35P4PdS7Sn — CID 159563231

IUPACbis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;4,4-dimethylcyclohexan-1-ol;2-(4,4-dimethylcyclohexyl)oxy-2-phenylethanol;2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;palladium;(2S)-2-phenyloxirane;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane)
SMILESCC1(C)CCC(O)CC1.CC1(C)CCC(OC(CO)c2ccccc2)CC1.CCCC[Sn](CCCC)(CCCC)c1ncco1.Cc1c(-c2ncco2)sc2c1c(=O)n(C(C)(C)C(=O)O)c(=O)n2CC(OC1CCC(C)(C)CC1)c1ccccc1.Cc1c(-c2ncco2)sc2c1c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)n2CC(OC1CCC(C)(C)CC1)c1ccccc1.Cc1c(Br)sc2[nH]c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)c12.Cc1c(Br)sc2c1c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)n2CC(OC1CCC(C)(C)CC1)c1ccccc1.O=S(=O)(O[Al](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)C(F)(F)F.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc([C@H]2CO2)cc1
InChIInChI=1S/C34H43N3O6S.C31H41BrN2O5S.C30H35N3O6S.4C18H15P.C16H24O2.C15H19BrN2O4S.C8H8O.C8H16O.3C4H9.C3H2NO.3CHF3O3S.Al.Pd.Sn/c1-21-25-28(38)37(34(7,8)30(39)43-32(2,3)4)31(40)36(29(25)44-26(21)27-35-18-19-41-27)20-24(22-12-10-9-11-13-22)42-23-14-16-33(5,6)17-15-23;1-19-23-25(35)34(31(7,8)27(36)39-29(2,3)4)28(37)33(26(23)40-24(19)32)18-22(20-12-10-9-11-13-20)38-21-14-16-30(5,6)17-15-21;1-18-22-25(34)33(30(4,5)27(35)36)28(37)32(26(22)40-23(18)24-31-15-16-38-24)17-21(19-9-7-6-8-10-19)39-20-11-13-29(2,3)14-12-20;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-16(2)10-8-14(9-11-16)18-15(12-17)13-6-4-3-5-7-13;1-7-8-10(23-9(7)16)17-13(21)18(11(8)19)15(5,6)12(20)22-14(2,3)4;1-2-4-7(5-3-1)8-6-9-8;1-8(2)5-3-7(9)4-6-8;3*1-3-4-2;1-2-5-3-4-1;3*2-1(3,4)8(5,6)7;;;/h9-13,18-19,23-24H,14-17,20H2,1-8H3;9-13,21-22H,14-18H2,1-8H3;6-10,15-16,20-21H,11-14,17H2,1-5H3,(H,35,36);4*1-15H;3-7,14-15,17H,8-12H2,1-2H3;1-6H3,(H,17,21);1-5,8H,6H2;7,9H,3-6H2,1-2H3;3*1,3-4H2,2H3;1-2H;3*(H,5,6,7);;;/q;;;;;;;;;;;;;;;;;;+3;;/p-3/t;;;;;;;;;8-;;;;;;;;;;;/m.........1.........../s1
InChIKeyMGWPWSLBRDBFJE-RJGYIHLPSA-K
MW4709.06 g/mol
LogP49.21
Rot. Bonds58

About bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;4,4-dimethylcyclohexan-1-ol;2-(4,4-dimethylcyclohexyl)oxy-2-phenylethanol;2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;palladium;(2S)-2-phenyloxirane;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane)

bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;4,4-dimethylcyclohexan-1-ol;2-(4,4-dimethylcyclohexyl)oxy-2-phenylethanol;2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;palladium;(2S)-2-phenyloxirane;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane) (PubChem CID 159563231) has the molecular formula C232H275AlBr2F9N11O35P4PdS7Sn and a molecular weight of 4709.06 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;4,4-dimethylcyclohexan-1-ol;2-(4,4-dimethylcyclohexyl)oxy-2-phenylethanol;2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;palladium;(2S)-2-phenyloxirane;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane).

Molecular Properties

Compound Namebis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;4,4-dimethylcyclohexan-1-ol;2-(4,4-dimethylcyclohexyl)oxy-2-phenylethanol;2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;palladium;(2S)-2-phenyloxirane;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane)
PubChem CID159563231
Molecular FormulaC232H275AlBr2F9N11O35P4PdS7Sn
Molecular Weight4709.06 g/mol
Exact Mass4704.32
IUPAC Namebis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;4,4-dimethylcyclohexan-1-ol;2-(4,4-dimethylcyclohexyl)oxy-2-phenylethanol;2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;palladium;(2S)-2-phenyloxirane;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane)
SMILESCC1(C)CCC(O)CC1.CC1(C)CCC(OC(CO)c2ccccc2)CC1.CCCC[Sn](CCCC)(CCCC)c1ncco1.Cc1c(-c2ncco2)sc2c1c(=O)n(C(C)(C)C(=O)O)c(=O)n2CC(OC1CCC(C)(C)CC1)c1ccccc1.Cc1c(-c2ncco2)sc2c1c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)n2CC(OC1CCC(C)(C)CC1)c1ccccc1.Cc1c(Br)sc2[nH]c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)c12.Cc1c(Br)sc2c1c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)n2CC(OC1CCC(C)(C)CC1)c1ccccc1.O=S(=O)(O[Al](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)C(F)(F)F.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc([C@H]2CO2)cc1
InChIInChI=1S/C34H43N3O6S.C31H41BrN2O5S.C30H35N3O6S.4C18H15P.C16H24O2.C15H19BrN2O4S.C8H8O.C8H16O.3C4H9.C3H2NO.3CHF3O3S.Al.Pd.Sn/c1-21-25-28(38)37(34(7,8)30(39)43-32(2,3)4)31(40)36(29(25)44-26(21)27-35-18-19-41-27)20-24(22-12-10-9-11-13-22)42-23-14-16-33(5,6)17-15-23;1-19-23-25(35)34(31(7,8)27(36)39-29(2,3)4)28(37)33(26(23)40-24(19)32)18-22(20-12-10-9-11-13-20)38-21-14-16-30(5,6)17-15-21;1-18-22-25(34)33(30(4,5)27(35)36)28(37)32(26(22)40-23(18)24-31-15-16-38-24)17-21(19-9-7-6-8-10-19)39-20-11-13-29(2,3)14-12-20;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-16(2)10-8-14(9-11-16)18-15(12-17)13-6-4-3-5-7-13;1-7-8-10(23-9(7)16)17-13(21)18(11(8)19)15(5,6)12(20)22-14(2,3)4;1-2-4-7(5-3-1)8-6-9-8;1-8(2)5-3-7(9)4-6-8;3*1-3-4-2;1-2-5-3-4-1;3*2-1(3,4)8(5,6)7;;;/h9-13,18-19,23-24H,14-17,20H2,1-8H3;9-13,21-22H,14-18H2,1-8H3;6-10,15-16,20-21H,11-14,17H2,1-5H3,(H,35,36);4*1-15H;3-7,14-15,17H,8-12H2,1-2H3;1-6H3,(H,17,21);1-5,8H,6H2;7,9H,3-6H2,1-2H3;3*1,3-4H2,2H3;1-2H;3*(H,5,6,7);;;/q;;;;;;;;;;;;;;;;;;+3;;/p-3/t;;;;;;;;;8-;;;;;;;;;;;/m.........1.........../s1
InChIKeyMGWPWSLBRDBFJE-RJGYIHLPSA-K
XLogP49.21
TPSA601.17 Ų
H-Bond Donors4
H-Bond Acceptors48
Rotatable Bonds58
Heavy Atoms303
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004709.06
LogP ≤ 549.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1048

Analyze bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;4,4-dimethylcyclohexan-1-ol;2-(4,4-dimethylcyclohexyl)oxy-2-phenylethanol;2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;palladium;(2S)-2-phenyloxirane;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;4,4-dimethylcyclohexan-1-ol;2-(4,4-dimethylcyclohexyl)oxy-2-phenylethanol;2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;palladium;(2S)-2-phenyloxirane;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane)?
The IUPAC name of bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;4,4-dimethylcyclohexan-1-ol;2-(4,4-dimethylcyclohexyl)oxy-2-phenylethanol;2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;palladium;(2S)-2-phenyloxirane;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane) (CID 159563231) is bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;4,4-dimethylcyclohexan-1-ol;2-(4,4-dimethylcyclohexyl)oxy-2-phenylethanol;2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;palladium;(2S)-2-phenyloxirane;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane).
What is the SMILES notation for bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;4,4-dimethylcyclohexan-1-ol;2-(4,4-dimethylcyclohexyl)oxy-2-phenylethanol;2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;palladium;(2S)-2-phenyloxirane;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane)?
The canonical SMILES for bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;4,4-dimethylcyclohexan-1-ol;2-(4,4-dimethylcyclohexyl)oxy-2-phenylethanol;2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;palladium;(2S)-2-phenyloxirane;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane) is CC1(C)CCC(O)CC1.CC1(C)CCC(OC(CO)c2ccccc2)CC1.CCCC[Sn](CCCC)(CCCC)c1ncco1.Cc1c(-c2ncco2)sc2c1c(=O)n(C(C)(C)C(=O)O)c(=O)n2CC(OC1CCC(C)(C)CC1)c1ccccc1.Cc1c(-c2ncco2)sc2c1c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)n2CC(OC1CCC(C)(C)CC1)c1ccccc1.Cc1c(Br)sc2[nH]c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)c12.Cc1c(Br)sc2c1c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)n2CC(OC1CCC(C)(C)CC1)c1ccccc1.O=S(=O)(O[Al](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)C(F)(F)F.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc([C@H]2CO2)cc1.
What is the InChIKey of bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;4,4-dimethylcyclohexan-1-ol;2-(4,4-dimethylcyclohexyl)oxy-2-phenylethanol;2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;palladium;(2S)-2-phenyloxirane;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane)?
The InChIKey is MGWPWSLBRDBFJE-RJGYIHLPSA-K. The full InChI is InChI=1S/C34H43N3O6S.C31H41BrN2O5S.C30H35N3O6S.4C18H15P.C16H24O2.C15H19BrN2O4S.C8H8O.C8H16O.3C4H9.C3H2NO.3CHF3O3S.Al.Pd.Sn/c1-21-25-28(38)37(34(7,8)30(39)43-32(2,3)4)31(40)36(29(25)44-26(21)27-35-18-19-41-27)20-24(22-12-10-9-11-13-22)42-23-14-16-33(5,6)17-15-23;1-19-23-25(35)34(31(7,8)27(36)39-29(2,3)4)28(37)33(26(23)40-24(19)32)18-22(20-12-10-9-11-13-20)38-21-14-16-30(5,6)17-15-21;1-18-22-25(34)33(30(4,5)27(35)36)28(37)32(26(22)40-23(18)24-31-15-16-38-24)17-21(19-9-7-6-8-10-19)39-20-11-13-29(2,3)14-12-20;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-16(2)10-8-14(9-11-16)18-15(12-17)13-6-4-3-5-7-13;1-7-8-10(23-9(7)16)17-13(21)18(11(8)19)15(5,6)12(20)22-14(2,3)4;1-2-4-7(5-3-1)8-6-9-8;1-8(2)5-3-7(9)4-6-8;3*1-3-4-2;1-2-5-3-4-1;3*2-1(3,4)8(5,6)7;;;/h9-13,18-19,23-24H,14-17,20H2,1-8H3;9-13,21-22H,14-18H2,1-8H3;6-10,15-16,20-21H,11-14,17H2,1-5H3,(H,35,36);4*1-15H;3-7,14-15,17H,8-12H2,1-2H3;1-6H3,(H,17,21);1-5,8H,6H2;7,9H,3-6H2,1-2H3;3*1,3-4H2,2H3;1-2H;3*(H,5,6,7);;;/q;;;;;;;;;;;;;;;;;;+3;;/p-3/t;;;;;;;;;8-;;;;;;;;;;;/m.........1.........../s1.
What are the key properties of bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;4,4-dimethylcyclohexan-1-ol;2-(4,4-dimethylcyclohexyl)oxy-2-phenylethanol;2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;palladium;(2S)-2-phenyloxirane;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane)?
bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;4,4-dimethylcyclohexan-1-ol;2-(4,4-dimethylcyclohexyl)oxy-2-phenylethanol;2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;palladium;(2S)-2-phenyloxirane;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane) has a molecular weight of 4709.06 g/mol, XLogP of 49.21, 58 rotatable bonds, 4 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;4,4-dimethylcyclohexan-1-ol;2-(4,4-dimethylcyclohexyl)oxy-2-phenylethanol;2-[1-[2-(4,4-dimethylcyclohexyl)oxy-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;palladium;(2S)-2-phenyloxirane;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159563231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).