tert-butyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;ethyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-ethyl-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1,1,1-trifluoro-2-methylpropan-2-yl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-8-fluoro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate

C162H201ClF8N14O32S4 — CID 158554583

About tert-butyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;ethyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-ethyl-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1,1,1-trifluoro-2-methylpropan-2-yl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-8-fluoro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate

tert-butyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;ethyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-ethyl-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1,1,1-trifluoro-2-methylpropan-2-yl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-8-fluoro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate (PubChem CID 158554583) has the molecular formula C162H201ClF8N14O32S4 and a molecular weight of 3172.16 g/mol. Its IUPAC name is tert-butyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;ethyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-ethyl-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1,1,1-trifluoro-2-methylpropan-2-yl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-8-fluoro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate.

Molecular Properties

• Compound Name: tert-butyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;ethyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-ethyl-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1,1,1-trifluoro-2-methylpropan-2-yl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-8-fluoro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate
• PubChem CID: 158554583
• Molecular Formula: C162H201ClF8N14O32S4
• Molecular Weight: 3172.16 g/mol
• Exact Mass: 3169.30
• IUPAC Name: tert-butyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;ethyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-ethyl-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1,1,1-trifluoro-2-methylpropan-2-yl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-8-fluoro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate
• SMILES: CC(C)(C)OC(=O)C[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2(C)CC2)CC(=O)[C@@H]2C[C@]3(CCc4c(c(C(F)F)nc5ccc(Cl)cc45)O3)CN2C1=O.CCOC(=O)C[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2(C)CC2)NC(=O)[C@@H]2C[C@]3(CCc4c(c(C(F)F)nc5ccccc45)O3)CN2C1=O.CCc1ccc2nc(C)c3c(c2c1)CC[C@]1(C[C@H]2C(=O)N[C@]4(C(=O)NS(=O)(=O)C5(C)CC5)C[C@H]4/C=C\CCCCC[C@H](CC(=O)OCC(C)C)C(=O)N2C1)O3.Cc1nc2cc(F)ccc2c2c1O[C@]1(CC2)C[C@H]2C(=O)C[C@]3(C(=O)NS(=O)(=O)C4(C)CC4)C[C@H]3/C=C\CCCCC[C@H](CC(=O)OC(C)(C)C(F)(F)F)C(=O)N2C1
• InChI: InChI=1S/C42H56N4O8S.C41H50ClF2N3O8S.C41H49F4N3O8S.C38H46F2N4O8S/c1-6-28-14-15-33-32(20-28)31-16-17-41(54-36(31)27(4)43-33)23-34-37(48)44-42(39(50)45-55(51,52)40(5)18-19-40)22-30(42)13-11-9-7-8-10-12-29(38(49)46(34)25-41)21-35(47)53-24-26(2)3;1-38(2,3)54-32(49)18-24-10-8-6-5-7-9-11-25-20-41(25,37(51)46-56(52,53)39(4)16-17-39)22-31(48)30-21-40(23-47(30)36(24)50)15-14-27-28-19-26(42)12-13-29(28)45-33(35(43)44)34(27)55-40;1-24-34-29(28-13-12-27(42)19-30(28)46-24)14-15-39(56-34)21-31-32(49)22-40(36(52)47-57(53,54)38(4)16-17-38)20-26(40)11-9-7-5-6-8-10-25(35(51)48(31)23-39)18-33(50)55-37(2,3)41(43,44)45;1-3-51-29(45)19-23-11-7-5-4-6-8-12-24-20-38(24,35(48)43-53(49,50)36(2)17-18-36)42-33(46)28-21-37(22-44(28)34(23)47)16-15-26-25-13-9-10-14-27(25)41-30(32(39)40)31(26)52-37/h11,13-15,20,26,29-30,34H,6-10,12,16-19,21-25H2,1-5H3,(H,44,48)(H,45,50);9,11-13,19,24-25,30,35H,5-8,10,14-18,20-23H2,1-4H3,(H,46,51);9,11-13,19,25-26,31H,5-8,10,14-18,20-23H2,1-4H3,(H,47,52);8-10,12-14,23-24,28,32H,3-7,11,15-22H2,1-2H3,(H,42,46)(H,43,48)/b13-11-;2*11-9-;12-8-/t29-,30-,34+,41-,42-;24-,25-,30+,40-,41-;25-,26-,31+,39-,40-;23-,24-,28+,37-,38-/m1111/s1
• InChIKey: HQDABVPVFJVALO-XSUPETJPSA-N
• XLogP: 24.21
• TPSA: 620.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 27
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3172.16
LogP ≤ 5	24.21
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;ethyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-ethyl-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1,1,1-trifluoro-2-methylpropan-2-yl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-8-fluoro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate?

The IUPAC name of tert-butyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;ethyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-ethyl-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1,1,1-trifluoro-2-methylpropan-2-yl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-8-fluoro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate (CID 158554583) is tert-butyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;ethyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-ethyl-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1,1,1-trifluoro-2-methylpropan-2-yl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-8-fluoro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate.

What is the SMILES notation for tert-butyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;ethyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-ethyl-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1,1,1-trifluoro-2-methylpropan-2-yl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-8-fluoro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate?

The canonical SMILES for tert-butyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;ethyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-ethyl-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1,1,1-trifluoro-2-methylpropan-2-yl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-8-fluoro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate is CC(C)(C)OC(=O)C[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2(C)CC2)CC(=O)[C@@H]2C[C@]3(CCc4c(c(C(F)F)nc5ccc(Cl)cc45)O3)CN2C1=O.CCOC(=O)C[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2(C)CC2)NC(=O)[C@@H]2C[C@]3(CCc4c(c(C(F)F)nc5ccccc45)O3)CN2C1=O.CCc1ccc2nc(C)c3c(c2c1)CC[C@]1(C[C@H]2C(=O)N[C@]4(C(=O)NS(=O)(=O)C5(C)CC5)C[C@H]4/C=C\CCCCC[C@H](CC(=O)OCC(C)C)C(=O)N2C1)O3.Cc1nc2cc(F)ccc2c2c1O[C@]1(CC2)C[C@H]2C(=O)C[C@]3(C(=O)NS(=O)(=O)C4(C)CC4)C[C@H]3/C=C\CCCCC[C@H](CC(=O)OC(C)(C)C(F)(F)F)C(=O)N2C1.

What is the InChIKey of tert-butyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;ethyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-ethyl-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1,1,1-trifluoro-2-methylpropan-2-yl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-8-fluoro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate?

The InChIKey is HQDABVPVFJVALO-XSUPETJPSA-N. The full InChI is InChI=1S/C42H56N4O8S.C41H50ClF2N3O8S.C41H49F4N3O8S.C38H46F2N4O8S/c1-6-28-14-15-33-32(20-28)31-16-17-41(54-36(31)27(4)43-33)23-34-37(48)44-42(39(50)45-55(51,52)40(5)18-19-40)22-30(42)13-11-9-7-8-10-12-29(38(49)46(34)25-41)21-35(47)53-24-26(2)3;1-38(2,3)54-32(49)18-24-10-8-6-5-7-9-11-25-20-41(25,37(51)46-56(52,53)39(4)16-17-39)22-31(48)30-21-40(23-47(30)36(24)50)15-14-27-28-19-26(42)12-13-29(28)45-33(35(43)44)34(27)55-40;1-24-34-29(28-13-12-27(42)19-30(28)46-24)14-15-39(56-34)21-31-32(49)22-40(36(52)47-57(53,54)38(4)16-17-38)20-26(40)11-9-7-5-6-8-10-25(35(51)48(31)23-39)18-33(50)55-37(2,3)41(43,44)45;1-3-51-29(45)19-23-11-7-5-4-6-8-12-24-20-38(24,35(48)43-53(49,50)36(2)17-18-36)42-33(46)28-21-37(22-44(28)34(23)47)16-15-26-25-13-9-10-14-27(25)41-30(32(39)40)31(26)52-37/h11,13-15,20,26,29-30,34H,6-10,12,16-19,21-25H2,1-5H3,(H,44,48)(H,45,50);9,11-13,19,24-25,30,35H,5-8,10,14-18,20-23H2,1-4H3,(H,46,51);9,11-13,19,25-26,31H,5-8,10,14-18,20-23H2,1-4H3,(H,47,52);8-10,12-14,23-24,28,32H,3-7,11,15-22H2,1-2H3,(H,42,46)(H,43,48)/b13-11-;2*11-9-;12-8-/t29-,30-,34+,41-,42-;24-,25-,30+,40-,41-;25-,26-,31+,39-,40-;23-,24-,28+,37-,38-/m1111/s1.

What are the key properties of tert-butyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;ethyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-ethyl-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1,1,1-trifluoro-2-methylpropan-2-yl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-8-fluoro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate?

tert-butyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;ethyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-ethyl-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1,1,1-trifluoro-2-methylpropan-2-yl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-8-fluoro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate has a molecular weight of 3172.16 g/mol, XLogP of 24.21, 27 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;ethyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-5-(difluoromethyl)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-ethyl-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1,1,1-trifluoro-2-methylpropan-2-yl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-8-fluoro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate is sourced from PubChem (CID 158554583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).