(2S,4aR,6S,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;(2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-N-[1-(dimethylamino)ethylidene]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxamide;5-bromo-2-chloro-1,3-difluorobenzene;2-(4-chloro-3,5-difluorophenyl)ethynyl-trimethylsilane;[5-chloro-2-(trifluoromethyl)phenyl]hydrazine;2-(dimethylamino)-2-methylpropane-1,3-diol;ethynyl(trimethyl)silane;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-azido-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate

C157H154BrCl8F18N23O31Si2 — CID 164954447

About (2S,4aR,6S,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;(2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-N-[1-(dimethylamino)ethylidene]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxamide;5-bromo-2-chloro-1,3-difluorobenzene;2-(4-chloro-3,5-difluorophenyl)ethynyl-trimethylsilane;[5-chloro-2-(trifluoromethyl)phenyl]hydrazine;2-(dimethylamino)-2-methylpropane-1,3-diol;ethynyl(trimethyl)silane;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-azido-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate

(2S,4aR,6S,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;(2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-N-[1-(dimethylamino)ethylidene]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxamide;5-bromo-2-chloro-1,3-difluorobenzene;2-(4-chloro-3,5-difluorophenyl)ethynyl-trimethylsilane;[5-chloro-2-(trifluoromethyl)phenyl]hydrazine;2-(dimethylamino)-2-methylpropane-1,3-diol;ethynyl(trimethyl)silane;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-azido-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate (PubChem CID 164954447) has the molecular formula C157H154BrCl8F18N23O31Si2 and a molecular weight of 3620.75 g/mol. Its IUPAC name is (2S,4aR,6S,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;(2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-N-[1-(dimethylamino)ethylidene]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxamide;5-bromo-2-chloro-1,3-difluorobenzene;2-(4-chloro-3,5-difluorophenyl)ethynyl-trimethylsilane;[5-chloro-2-(trifluoromethyl)phenyl]hydrazine;2-(dimethylamino)-2-methylpropane-1,3-diol;ethynyl(trimethyl)silane;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-azido-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate.

Molecular Properties

• Compound Name: (2S,4aR,6S,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;(2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-N-[1-(dimethylamino)ethylidene]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxamide;5-bromo-2-chloro-1,3-difluorobenzene;2-(4-chloro-3,5-difluorophenyl)ethynyl-trimethylsilane;[5-chloro-2-(trifluoromethyl)phenyl]hydrazine;2-(dimethylamino)-2-methylpropane-1,3-diol;ethynyl(trimethyl)silane;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-azido-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate
• PubChem CID: 164954447
• Molecular Formula: C157H154BrCl8F18N23O31Si2
• Molecular Weight: 3620.75 g/mol
• Exact Mass: 3613.71
• IUPAC Name: (2S,4aR,6S,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;(2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-N-[1-(dimethylamino)ethylidene]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxamide;5-bromo-2-chloro-1,3-difluorobenzene;2-(4-chloro-3,5-difluorophenyl)ethynyl-trimethylsilane;[5-chloro-2-(trifluoromethyl)phenyl]hydrazine;2-(dimethylamino)-2-methylpropane-1,3-diol;ethynyl(trimethyl)silane;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-azido-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate
• SMILES: C#C[Si](C)(C)C.C/C(=N\C(=O)[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](n2cc(-c3cc(F)c(Cl)c(F)c3)nn2)[C@H]1O)N(C)C.CN(C)C(C)(CO)CO.COC(=O)[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](N=[N+]=[N-])[C@H]1OC(C)=O.COC(=O)[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](n2cc(-c3cc(F)c(Cl)c(F)c3)nn2)[C@H]1O.COC(=O)[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](n2cc(-c3cc(F)c(Cl)c(F)c3)nn2)[C@H]1OC(C)=O.C[Si](C)(C)C#Cc1cc(F)c(Cl)c(F)c1.Cc1nc([C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](n3cc(-c4cc(F)c(Cl)c(F)c4)nn3)[C@H]2O)n(-c2cc(Cl)ccc2C(F)(F)F)n1.Fc1cc(Br)cc(F)c1Cl.NNc1cc(Cl)ccc1C(F)(F)F
• InChI: InChI=1S/C31H23Cl2F5N6O4.C26H26ClF2N5O5.C25H22ClF2N3O7.C23H20ClF2N3O6.C17H19N3O7.C11H11ClF2Si.C7H6ClF3N2.C6H2BrClF2.C6H15NO2.C5H10Si/c1-14-39-29(44(41-14)22-11-17(32)7-8-18(22)31(36,37)38)28-26(45)25(27-23(47-28)13-46-30(48-27)15-5-3-2-4-6-15)43-12-21(40-42-43)16-9-19(34)24(33)20(35)10-16;1-13(33(2)3)30-25(36)24-22(35)21(23-19(38-24)12-37-26(39-23)14-7-5-4-6-8-14)34-11-18(31-32-34)15-9-16(28)20(27)17(29)10-15;1-12(32)36-22-20(31-10-17(29-30-31)14-8-15(27)19(26)16(28)9-14)21-18(37-23(22)24(33)34-2)11-35-25(38-21)13-6-4-3-5-7-13;1-32-22(31)21-19(30)18(20-16(34-21)10-33-23(35-20)11-5-3-2-4-6-11)29-9-15(27-28-29)12-7-13(25)17(24)14(26)8-12;1-9(21)25-14-12(19-20-18)13-11(26-15(14)16(22)23-2)8-24-17(27-13)10-6-4-3-5-7-10;1-15(2,3)5-4-8-6-9(13)11(12)10(14)7-8;8-4-1-2-5(7(9,10)11)6(3-4)13-12;7-3-1-4(9)6(8)5(10)2-3;1-6(4-8,5-9)7(2)3;1-5-6(2,3)4/h2-12,23,25-28,30,45H,13H2,1H3;4-11,19,21-24,26,35H,12H2,1-3H3;3-10,18,20-23,25H,11H2,1-2H3;2-9,16,18-21,23,30H,10H2,1H3;3-7,11-15,17H,8H2,1-2H3;6-7H,1-3H3;1-3,13H,12H2;1-2H;8-9H,4-5H2,1-3H3;1H,2-4H3/b;30-13+;;;;;;;;/t23-,25-,26-,27+,28-,30+;19-,21-,22-,23+,24-,26+;18-,20+,21+,22-,23-,25+;16-,18-,19-,20+,21-,23+;11-,12+,13+,14-,15-,17+;;;;;/m11111...../s1
• InChIKey: AZEBIPSPTBXGKL-OLWZRLEFSA-N
• XLogP: 28.31
• TPSA: 647.37 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 50
• Rotatable Bonds: 26
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3620.75
LogP ≤ 5	28.31
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of (2S,4aR,6S,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;(2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-N-[1-(dimethylamino)ethylidene]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxamide;5-bromo-2-chloro-1,3-difluorobenzene;2-(4-chloro-3,5-difluorophenyl)ethynyl-trimethylsilane;[5-chloro-2-(trifluoromethyl)phenyl]hydrazine;2-(dimethylamino)-2-methylpropane-1,3-diol;ethynyl(trimethyl)silane;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-azido-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate?

The IUPAC name of (2S,4aR,6S,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;(2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-N-[1-(dimethylamino)ethylidene]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxamide;5-bromo-2-chloro-1,3-difluorobenzene;2-(4-chloro-3,5-difluorophenyl)ethynyl-trimethylsilane;[5-chloro-2-(trifluoromethyl)phenyl]hydrazine;2-(dimethylamino)-2-methylpropane-1,3-diol;ethynyl(trimethyl)silane;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-azido-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate (CID 164954447) is (2S,4aR,6S,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;(2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-N-[1-(dimethylamino)ethylidene]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxamide;5-bromo-2-chloro-1,3-difluorobenzene;2-(4-chloro-3,5-difluorophenyl)ethynyl-trimethylsilane;[5-chloro-2-(trifluoromethyl)phenyl]hydrazine;2-(dimethylamino)-2-methylpropane-1,3-diol;ethynyl(trimethyl)silane;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-azido-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate.

What is the SMILES notation for (2S,4aR,6S,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;(2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-N-[1-(dimethylamino)ethylidene]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxamide;5-bromo-2-chloro-1,3-difluorobenzene;2-(4-chloro-3,5-difluorophenyl)ethynyl-trimethylsilane;[5-chloro-2-(trifluoromethyl)phenyl]hydrazine;2-(dimethylamino)-2-methylpropane-1,3-diol;ethynyl(trimethyl)silane;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-azido-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate?

The canonical SMILES for (2S,4aR,6S,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;(2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-N-[1-(dimethylamino)ethylidene]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxamide;5-bromo-2-chloro-1,3-difluorobenzene;2-(4-chloro-3,5-difluorophenyl)ethynyl-trimethylsilane;[5-chloro-2-(trifluoromethyl)phenyl]hydrazine;2-(dimethylamino)-2-methylpropane-1,3-diol;ethynyl(trimethyl)silane;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-azido-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate is C#C[Si](C)(C)C.C/C(=N\C(=O)[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](n2cc(-c3cc(F)c(Cl)c(F)c3)nn2)[C@H]1O)N(C)C.CN(C)C(C)(CO)CO.COC(=O)[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](N=[N+]=[N-])[C@H]1OC(C)=O.COC(=O)[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](n2cc(-c3cc(F)c(Cl)c(F)c3)nn2)[C@H]1O.COC(=O)[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](n2cc(-c3cc(F)c(Cl)c(F)c3)nn2)[C@H]1OC(C)=O.C[Si](C)(C)C#Cc1cc(F)c(Cl)c(F)c1.Cc1nc([C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](n3cc(-c4cc(F)c(Cl)c(F)c4)nn3)[C@H]2O)n(-c2cc(Cl)ccc2C(F)(F)F)n1.Fc1cc(Br)cc(F)c1Cl.NNc1cc(Cl)ccc1C(F)(F)F.

What is the InChIKey of (2S,4aR,6S,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;(2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-N-[1-(dimethylamino)ethylidene]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxamide;5-bromo-2-chloro-1,3-difluorobenzene;2-(4-chloro-3,5-difluorophenyl)ethynyl-trimethylsilane;[5-chloro-2-(trifluoromethyl)phenyl]hydrazine;2-(dimethylamino)-2-methylpropane-1,3-diol;ethynyl(trimethyl)silane;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-azido-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate?

The InChIKey is AZEBIPSPTBXGKL-OLWZRLEFSA-N. The full InChI is InChI=1S/C31H23Cl2F5N6O4.C26H26ClF2N5O5.C25H22ClF2N3O7.C23H20ClF2N3O6.C17H19N3O7.C11H11ClF2Si.C7H6ClF3N2.C6H2BrClF2.C6H15NO2.C5H10Si/c1-14-39-29(44(41-14)22-11-17(32)7-8-18(22)31(36,37)38)28-26(45)25(27-23(47-28)13-46-30(48-27)15-5-3-2-4-6-15)43-12-21(40-42-43)16-9-19(34)24(33)20(35)10-16;1-13(33(2)3)30-25(36)24-22(35)21(23-19(38-24)12-37-26(39-23)14-7-5-4-6-8-14)34-11-18(31-32-34)15-9-16(28)20(27)17(29)10-15;1-12(32)36-22-20(31-10-17(29-30-31)14-8-15(27)19(26)16(28)9-14)21-18(37-23(22)24(33)34-2)11-35-25(38-21)13-6-4-3-5-7-13;1-32-22(31)21-19(30)18(20-16(34-21)10-33-23(35-20)11-5-3-2-4-6-11)29-9-15(27-28-29)12-7-13(25)17(24)14(26)8-12;1-9(21)25-14-12(19-20-18)13-11(26-15(14)16(22)23-2)8-24-17(27-13)10-6-4-3-5-7-10;1-15(2,3)5-4-8-6-9(13)11(12)10(14)7-8;8-4-1-2-5(7(9,10)11)6(3-4)13-12;7-3-1-4(9)6(8)5(10)2-3;1-6(4-8,5-9)7(2)3;1-5-6(2,3)4/h2-12,23,25-28,30,45H,13H2,1H3;4-11,19,21-24,26,35H,12H2,1-3H3;3-10,18,20-23,25H,11H2,1-2H3;2-9,16,18-21,23,30H,10H2,1H3;3-7,11-15,17H,8H2,1-2H3;6-7H,1-3H3;1-3,13H,12H2;1-2H;8-9H,4-5H2,1-3H3;1H,2-4H3/b;30-13+;;;;;;;;/t23-,25-,26-,27+,28-,30+;19-,21-,22-,23+,24-,26+;18-,20+,21+,22-,23-,25+;16-,18-,19-,20+,21-,23+;11-,12+,13+,14-,15-,17+;;;;;/m11111...../s1.

What are the key properties of (2S,4aR,6S,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;(2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-N-[1-(dimethylamino)ethylidene]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxamide;5-bromo-2-chloro-1,3-difluorobenzene;2-(4-chloro-3,5-difluorophenyl)ethynyl-trimethylsilane;[5-chloro-2-(trifluoromethyl)phenyl]hydrazine;2-(dimethylamino)-2-methylpropane-1,3-diol;ethynyl(trimethyl)silane;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-azido-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate?

(2S,4aR,6S,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;(2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-N-[1-(dimethylamino)ethylidene]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxamide;5-bromo-2-chloro-1,3-difluorobenzene;2-(4-chloro-3,5-difluorophenyl)ethynyl-trimethylsilane;[5-chloro-2-(trifluoromethyl)phenyl]hydrazine;2-(dimethylamino)-2-methylpropane-1,3-diol;ethynyl(trimethyl)silane;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-azido-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate has a molecular weight of 3620.75 g/mol, XLogP of 28.31, 26 rotatable bonds, 7 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4aR,6S,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;(2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-N-[1-(dimethylamino)ethylidene]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxamide;5-bromo-2-chloro-1,3-difluorobenzene;2-(4-chloro-3,5-difluorophenyl)ethynyl-trimethylsilane;[5-chloro-2-(trifluoromethyl)phenyl]hydrazine;2-(dimethylamino)-2-methylpropane-1,3-diol;ethynyl(trimethyl)silane;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-azido-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8S,8aR)-7-acetyloxy-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate;methyl (2S,4aR,6R,7R,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate is sourced from PubChem (CID 164954447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).