bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(2-ethoxy-2-oxoethoxy)-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-(2-ethoxy-2-oxoethoxy)-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;ethyl 2-hydroxyacetate;ethyl 2-(2-hydroxy-1-phenylethoxy)acetate;2-[2-[5-methyl-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-1-phenylethoxy]acetic acid;(2S)-2-phenyloxirane;sulfane;tributyl(1,3-oxazol-2-yl)stannane

C142H181AlBr2F9N11O45S8Sn — CID 159140813

IUPACbis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(2-ethoxy-2-oxoethoxy)-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-(2-ethoxy-2-oxoethoxy)-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;ethyl 2-hydroxyacetate;ethyl 2-(2-hydroxy-1-phenylethoxy)acetate;2-[2-[5-methyl-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-1-phenylethoxy]acetic acid;(2S)-2-phenyloxirane;sulfane;tributyl(1,3-oxazol-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ncco1.CCOC(=O)CO.CCOC(=O)COC(CO)c1ccccc1.CCOC(=O)COC(Cn1c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)c2c(C)c(-c3ncco3)sc21)c1ccccc1.CCOC(=O)COC(Cn1c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)c2c(C)c(Br)sc21)c1ccccc1.Cc1c(-c2ncco2)sc2c1c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)n2CC(OCC(=O)O)c1ccccc1.Cc1c(Br)sc2[nH]c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)c12.O=S(=O)(O[Al](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)C(F)(F)F.S.c1ccc([C@H]2CO2)cc1
InChIInChI=1S/C30H35N3O8S.C28H31N3O8S.C27H33BrN2O7S.C15H19BrN2O4S.C12H16O4.C8H8O.C4H8O3.3C4H9.C3H2NO.3CHF3O3S.Al.H2S.Sn/c1-8-38-21(34)17-40-20(19-12-10-9-11-13-19)16-32-26-22(18(2)23(42-26)24-31-14-15-39-24)25(35)33(28(32)37)30(6,7)27(36)41-29(3,4)5;1-16-20-23(34)31(28(5,6)25(35)39-27(2,3)4)26(36)30(24(20)40-21(16)22-29-12-13-37-22)14-18(38-15-19(32)33)17-10-8-7-9-11-17;1-8-35-19(31)15-36-18(17-12-10-9-11-13-17)14-29-23-20(16(2)21(28)38-23)22(32)30(25(29)34)27(6,7)24(33)37-26(3,4)5;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;1-2-15-12(14)9-16-11(8-13)10-6-4-3-5-7-10;1-2-4-7(5-3-1)8-6-9-8;1-2-7-4(6)3-5;3*1-3-4-2;1-2-5-3-4-1;3*2-1(3,4)8(5,6)7;;;/h9-15,20H,8,16-17H2,1-7H3;7-13,18H,14-15H2,1-6H3,(H,32,33);9-13,18H,8,14-15H2,1-7H3;1-6H3,(H,17,21);3-7,11,13H,2,8-9H2,1H3;1-5,8H,6H2;5H,2-3H2,1H3;3*1,3-4H2,2H3;1-2H;3*(H,5,6,7);;1H2;/q;;;;;;;;;;;;;;+3;;/p-3/t;;;;;8-;;;;;;;;;;;/m.....1.........../s1
InChIKeyKIBLTWHJFZOKAV-PJMZCIBWSA-K
MW3495.06 g/mol
LogP24.30
Rot. Bonds55

About bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(2-ethoxy-2-oxoethoxy)-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-(2-ethoxy-2-oxoethoxy)-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;ethyl 2-hydroxyacetate;ethyl 2-(2-hydroxy-1-phenylethoxy)acetate;2-[2-[5-methyl-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-1-phenylethoxy]acetic acid;(2S)-2-phenyloxirane;sulfane;tributyl(1,3-oxazol-2-yl)stannane

bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(2-ethoxy-2-oxoethoxy)-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-(2-ethoxy-2-oxoethoxy)-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;ethyl 2-hydroxyacetate;ethyl 2-(2-hydroxy-1-phenylethoxy)acetate;2-[2-[5-methyl-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-1-phenylethoxy]acetic acid;(2S)-2-phenyloxirane;sulfane;tributyl(1,3-oxazol-2-yl)stannane (PubChem CID 159140813) has the molecular formula C142H181AlBr2F9N11O45S8Sn and a molecular weight of 3495.06 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(2-ethoxy-2-oxoethoxy)-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-(2-ethoxy-2-oxoethoxy)-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;ethyl 2-hydroxyacetate;ethyl 2-(2-hydroxy-1-phenylethoxy)acetate;2-[2-[5-methyl-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-1-phenylethoxy]acetic acid;(2S)-2-phenyloxirane;sulfane;tributyl(1,3-oxazol-2-yl)stannane.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(2-ethoxy-2-oxoethoxy)-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-(2-ethoxy-2-oxoethoxy)-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;ethyl 2-hydroxyacetate;ethyl 2-(2-hydroxy-1-phenylethoxy)acetate;2-[2-[5-methyl-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-1-phenylethoxy]acetic acid;(2S)-2-phenyloxirane;sulfane;tributyl(1,3-oxazol-2-yl)stannane
PubChem CID159140813
Molecular FormulaC142H181AlBr2F9N11O45S8Sn
Molecular Weight3495.06 g/mol
Exact Mass3491.70
IUPAC Namebis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(2-ethoxy-2-oxoethoxy)-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-(2-ethoxy-2-oxoethoxy)-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;ethyl 2-hydroxyacetate;ethyl 2-(2-hydroxy-1-phenylethoxy)acetate;2-[2-[5-methyl-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-1-phenylethoxy]acetic acid;(2S)-2-phenyloxirane;sulfane;tributyl(1,3-oxazol-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ncco1.CCOC(=O)CO.CCOC(=O)COC(CO)c1ccccc1.CCOC(=O)COC(Cn1c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)c2c(C)c(-c3ncco3)sc21)c1ccccc1.CCOC(=O)COC(Cn1c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)c2c(C)c(Br)sc21)c1ccccc1.Cc1c(-c2ncco2)sc2c1c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)n2CC(OCC(=O)O)c1ccccc1.Cc1c(Br)sc2[nH]c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)c12.O=S(=O)(O[Al](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)C(F)(F)F.S.c1ccc([C@H]2CO2)cc1
InChIInChI=1S/C30H35N3O8S.C28H31N3O8S.C27H33BrN2O7S.C15H19BrN2O4S.C12H16O4.C8H8O.C4H8O3.3C4H9.C3H2NO.3CHF3O3S.Al.H2S.Sn/c1-8-38-21(34)17-40-20(19-12-10-9-11-13-19)16-32-26-22(18(2)23(42-26)24-31-14-15-39-24)25(35)33(28(32)37)30(6,7)27(36)41-29(3,4)5;1-16-20-23(34)31(28(5,6)25(35)39-27(2,3)4)26(36)30(24(20)40-21(16)22-29-12-13-37-22)14-18(38-15-19(32)33)17-10-8-7-9-11-17;1-8-35-19(31)15-36-18(17-12-10-9-11-13-17)14-29-23-20(16(2)21(28)38-23)22(32)30(25(29)34)27(6,7)24(33)37-26(3,4)5;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;1-2-15-12(14)9-16-11(8-13)10-6-4-3-5-7-10;1-2-4-7(5-3-1)8-6-9-8;1-2-7-4(6)3-5;3*1-3-4-2;1-2-5-3-4-1;3*2-1(3,4)8(5,6)7;;;/h9-15,20H,8,16-17H2,1-7H3;7-13,18H,14-15H2,1-6H3,(H,32,33);9-13,18H,8,14-15H2,1-7H3;1-6H3,(H,17,21);3-7,11,13H,2,8-9H2,1H3;1-5,8H,6H2;5H,2-3H2,1H3;3*1,3-4H2,2H3;1-2H;3*(H,5,6,7);;1H2;/q;;;;;;;;;;;;;;+3;;/p-3/t;;;;;8-;;;;;;;;;;;/m.....1.........../s1
InChIKeyKIBLTWHJFZOKAV-PJMZCIBWSA-K
XLogP24.30
TPSA732.67 Ų
H-Bond Donors4
H-Bond Acceptors58
Rotatable Bonds55
Heavy Atoms219
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003495.06
LogP ≤ 524.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(2-ethoxy-2-oxoethoxy)-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-(2-ethoxy-2-oxoethoxy)-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;ethyl 2-hydroxyacetate;ethyl 2-(2-hydroxy-1-phenylethoxy)acetate;2-[2-[5-methyl-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-1-phenylethoxy]acetic acid;(2S)-2-phenyloxirane;sulfane;tributyl(1,3-oxazol-2-yl)stannane 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-(2-ethoxy-2-oxoethoxy)-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-(2-ethoxy-2-oxoethoxy)-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;ethyl 2-hydroxyacetate;ethyl 2-(2-hydroxy-1-phenylethoxy)acetate;2-[2-[5-methyl-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-1-phenylethoxy]acetic acid;(2S)-2-phenyloxirane;sulfane;tributyl(1,3-oxazol-2-yl)stannane?
The IUPAC name of bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(2-ethoxy-2-oxoethoxy)-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-(2-ethoxy-2-oxoethoxy)-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;ethyl 2-hydroxyacetate;ethyl 2-(2-hydroxy-1-phenylethoxy)acetate;2-[2-[5-methyl-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-1-phenylethoxy]acetic acid;(2S)-2-phenyloxirane;sulfane;tributyl(1,3-oxazol-2-yl)stannane (CID 159140813) is bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(2-ethoxy-2-oxoethoxy)-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-(2-ethoxy-2-oxoethoxy)-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;ethyl 2-hydroxyacetate;ethyl 2-(2-hydroxy-1-phenylethoxy)acetate;2-[2-[5-methyl-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-1-phenylethoxy]acetic acid;(2S)-2-phenyloxirane;sulfane;tributyl(1,3-oxazol-2-yl)stannane.
What is the SMILES notation for bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(2-ethoxy-2-oxoethoxy)-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-(2-ethoxy-2-oxoethoxy)-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;ethyl 2-hydroxyacetate;ethyl 2-(2-hydroxy-1-phenylethoxy)acetate;2-[2-[5-methyl-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-1-phenylethoxy]acetic acid;(2S)-2-phenyloxirane;sulfane;tributyl(1,3-oxazol-2-yl)stannane?
The canonical SMILES for bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(2-ethoxy-2-oxoethoxy)-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-(2-ethoxy-2-oxoethoxy)-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;ethyl 2-hydroxyacetate;ethyl 2-(2-hydroxy-1-phenylethoxy)acetate;2-[2-[5-methyl-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-1-phenylethoxy]acetic acid;(2S)-2-phenyloxirane;sulfane;tributyl(1,3-oxazol-2-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1ncco1.CCOC(=O)CO.CCOC(=O)COC(CO)c1ccccc1.CCOC(=O)COC(Cn1c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)c2c(C)c(-c3ncco3)sc21)c1ccccc1.CCOC(=O)COC(Cn1c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)c2c(C)c(Br)sc21)c1ccccc1.Cc1c(-c2ncco2)sc2c1c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)n2CC(OCC(=O)O)c1ccccc1.Cc1c(Br)sc2[nH]c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)c12.O=S(=O)(O[Al](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)C(F)(F)F.S.c1ccc([C@H]2CO2)cc1.
What is the InChIKey of bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(2-ethoxy-2-oxoethoxy)-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-(2-ethoxy-2-oxoethoxy)-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;ethyl 2-hydroxyacetate;ethyl 2-(2-hydroxy-1-phenylethoxy)acetate;2-[2-[5-methyl-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-1-phenylethoxy]acetic acid;(2S)-2-phenyloxirane;sulfane;tributyl(1,3-oxazol-2-yl)stannane?
The InChIKey is KIBLTWHJFZOKAV-PJMZCIBWSA-K. The full InChI is InChI=1S/C30H35N3O8S.C28H31N3O8S.C27H33BrN2O7S.C15H19BrN2O4S.C12H16O4.C8H8O.C4H8O3.3C4H9.C3H2NO.3CHF3O3S.Al.H2S.Sn/c1-8-38-21(34)17-40-20(19-12-10-9-11-13-19)16-32-26-22(18(2)23(42-26)24-31-14-15-39-24)25(35)33(28(32)37)30(6,7)27(36)41-29(3,4)5;1-16-20-23(34)31(28(5,6)25(35)39-27(2,3)4)26(36)30(24(20)40-21(16)22-29-12-13-37-22)14-18(38-15-19(32)33)17-10-8-7-9-11-17;1-8-35-19(31)15-36-18(17-12-10-9-11-13-17)14-29-23-20(16(2)21(28)38-23)22(32)30(25(29)34)27(6,7)24(33)37-26(3,4)5;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;1-2-15-12(14)9-16-11(8-13)10-6-4-3-5-7-10;1-2-4-7(5-3-1)8-6-9-8;1-2-7-4(6)3-5;3*1-3-4-2;1-2-5-3-4-1;3*2-1(3,4)8(5,6)7;;;/h9-15,20H,8,16-17H2,1-7H3;7-13,18H,14-15H2,1-6H3,(H,32,33);9-13,18H,8,14-15H2,1-7H3;1-6H3,(H,17,21);3-7,11,13H,2,8-9H2,1H3;1-5,8H,6H2;5H,2-3H2,1H3;3*1,3-4H2,2H3;1-2H;3*(H,5,6,7);;1H2;/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-(2-ethoxy-2-oxoethoxy)-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-(2-ethoxy-2-oxoethoxy)-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;ethyl 2-hydroxyacetate;ethyl 2-(2-hydroxy-1-phenylethoxy)acetate;2-[2-[5-methyl-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-1-phenylethoxy]acetic acid;(2S)-2-phenyloxirane;sulfane;tributyl(1,3-oxazol-2-yl)stannane?
bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(2-ethoxy-2-oxoethoxy)-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-(2-ethoxy-2-oxoethoxy)-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;ethyl 2-hydroxyacetate;ethyl 2-(2-hydroxy-1-phenylethoxy)acetate;2-[2-[5-methyl-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-1-phenylethoxy]acetic acid;(2S)-2-phenyloxirane;sulfane;tributyl(1,3-oxazol-2-yl)stannane has a molecular weight of 3495.06 g/mol, XLogP of 24.30, 55 rotatable bonds, 4 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-[6-bromo-1-[2-(2-ethoxy-2-oxoethoxy)-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-(2-ethoxy-2-oxoethoxy)-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;ethyl 2-hydroxyacetate;ethyl 2-(2-hydroxy-1-phenylethoxy)acetate;2-[2-[5-methyl-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-1-phenylethoxy]acetic acid;(2S)-2-phenyloxirane;sulfane;tributyl(1,3-oxazol-2-yl)stannane is sourced from PubChem (CID 159140813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).