N-[3-[5-[(3Z)-3-[1-(3-acetamidophenyl)-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;2-[6-tert-butyl-2-[4-(octylsulfonylamino)phenyl]-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]-4-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylamino)-2-phenylcyclopenta-2,4-dien-1-ylidene]-3-oxocyclobuten-1-olate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[3-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylimino)-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2-(2,2-dimethylbutanoylamino)-4-propan-2-yl-1H-pyrrole-3-carboxylate;3-(dipropylamino)-6-[3-[4-(dipropylamino)-2-(2-ethylhexoxy)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-(2-ethylhexoxy)cyclohexa-2,4-dien-1-one

C194H266N17O31S- — CID 167687892

About N-[3-[5-[(3Z)-3-[1-(3-acetamidophenyl)-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;2-[6-tert-butyl-2-[4-(octylsulfonylamino)phenyl]-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]-4-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylamino)-2-phenylcyclopenta-2,4-dien-1-ylidene]-3-oxocyclobuten-1-olate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[3-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylimino)-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2-(2,2-dimethylbutanoylamino)-4-propan-2-yl-1H-pyrrole-3-carboxylate;3-(dipropylamino)-6-[3-[4-(dipropylamino)-2-(2-ethylhexoxy)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-(2-ethylhexoxy)cyclohexa-2,4-dien-1-one

N-[3-[5-[(3Z)-3-[1-(3-acetamidophenyl)-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;2-[6-tert-butyl-2-[4-(octylsulfonylamino)phenyl]-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]-4-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylamino)-2-phenylcyclopenta-2,4-dien-1-ylidene]-3-oxocyclobuten-1-olate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[3-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylimino)-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2-(2,2-dimethylbutanoylamino)-4-propan-2-yl-1H-pyrrole-3-carboxylate;3-(dipropylamino)-6-[3-[4-(dipropylamino)-2-(2-ethylhexoxy)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-(2-ethylhexoxy)cyclohexa-2,4-dien-1-one (PubChem CID 167687892) has the molecular formula C194H266N17O31S- and a molecular weight of 3364.42 g/mol. Its IUPAC name is N-[3-[5-[(3Z)-3-[1-(3-acetamidophenyl)-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;2-[6-tert-butyl-2-[4-(octylsulfonylamino)phenyl]-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]-4-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylamino)-2-phenylcyclopenta-2,4-dien-1-ylidene]-3-oxocyclobuten-1-olate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[3-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylimino)-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2-(2,2-dimethylbutanoylamino)-4-propan-2-yl-1H-pyrrole-3-carboxylate;3-(dipropylamino)-6-[3-[4-(dipropylamino)-2-(2-ethylhexoxy)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-(2-ethylhexoxy)cyclohexa-2,4-dien-1-one.

Molecular Properties

• Compound Name: N-[3-[5-[(3Z)-3-[1-(3-acetamidophenyl)-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;2-[6-tert-butyl-2-[4-(octylsulfonylamino)phenyl]-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]-4-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylamino)-2-phenylcyclopenta-2,4-dien-1-ylidene]-3-oxocyclobuten-1-olate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[3-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylimino)-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2-(2,2-dimethylbutanoylamino)-4-propan-2-yl-1H-pyrrole-3-carboxylate;3-(dipropylamino)-6-[3-[4-(dipropylamino)-2-(2-ethylhexoxy)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-(2-ethylhexoxy)cyclohexa-2,4-dien-1-one
• PubChem CID: 167687892
• Molecular Formula: C194H266N17O31S-
• Molecular Weight: 3364.42 g/mol
• Exact Mass: 3361.95
• IUPAC Name: N-[3-[5-[(3Z)-3-[1-(3-acetamidophenyl)-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;2-[6-tert-butyl-2-[4-(octylsulfonylamino)phenyl]-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]-4-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylamino)-2-phenylcyclopenta-2,4-dien-1-ylidene]-3-oxocyclobuten-1-olate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[3-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylimino)-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2-(2,2-dimethylbutanoylamino)-4-propan-2-yl-1H-pyrrole-3-carboxylate;3-(dipropylamino)-6-[3-[4-(dipropylamino)-2-(2-ethylhexoxy)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-(2-ethylhexoxy)cyclohexa-2,4-dien-1-one
• SMILES: CC(=O)Nc1cccc(N2C(=O)/C(=C3\C(=O)C(c4c(O)n(-c5cccc(NC(C)=O)c5)c(=O)[nH]c4=O)=C3O)C(=O)N=C2O)c1.CCC(C)(C)C(=O)/N=C1\CC(=C2C(=O)C(c3[nH]c(NC(=O)C(C)(C)CC)c(C(=O)OC4C(C(C)(C)C)CC(C)CC4C(C)(C)C)c3C(C)C)=C2O)C(C(C)C)=C1C(=O)OC1C(C(C)(C)C)CC(C)CC1C(C)(C)C.CCCCC(CC)COC1=CC(N(CCC)CCC)=CC(=O)C1=C1C(=O)C(c2c(O)cc(N(CCC)CCC)cc2OCC(CC)CCCC)=C1O.CCCCCCCCS(=O)(=O)Nc1ccc(-c2nn3nc(C(C)(C)C)c(C4=C([O-])C(=C5C=C(NC(=O)C(C)(C)CC)C(C(=O)OC6C(C(C)(C)C)CC(C)CC6C(C)(C)C)=C5c5ccccc5)C4=O)c3[nH]2)cc1
• InChI: InChI=1S/C63H99N3O8.C59H80N6O7S.C44H68N2O6.C28H20N6O10/c1-25-62(21,22)56(71)64-41-31-36(42(32(3)4)45(41)54(69)73-51-37(58(9,10)11)27-34(7)28-38(51)59(12,13)14)44-49(67)47(50(44)68)48-43(33(5)6)46(53(65-48)66-57(72)63(23,24)26-2)55(70)74-52-39(60(15,16)17)29-35(8)30-40(52)61(18,19)20;1-15-17-18-19-20-24-31-73(70,71)64-38-29-27-37(28-30-38)52-61-53-47(51(58(10,11)12)62-65(53)63-52)46-48(66)44(49(46)67)39-34-42(60-55(69)59(13,14)16-2)45(43(39)36-25-22-21-23-26-36)54(68)72-50-40(56(4,5)6)32-35(3)33-41(50)57(7,8)9;1-9-17-19-31(15-7)29-51-37-27-33(45(21-11-3)22-12-4)25-35(47)39(37)41-43(49)42(44(41)50)40-36(48)26-34(46(23-13-5)24-14-6)28-38(40)52-30-32(16-8)20-18-10-2;1-11(35)29-13-5-3-7-15(9-13)33-25(41)19(23(39)31-27(33)43)17-21(37)18(22(17)38)20-24(40)32-28(44)34(26(20)42)16-8-4-6-14(10-16)30-12(2)36/h32-35,37-40,51-52,65,67H,25-31H2,1-24H3,(H,66,72);21-23,25-30,34-35,40-41,50,64,66H,15-20,24,31-33H2,1-14H3,(H,60,69)(H,61,63);25-28,31-32,47,49H,9-24,29-30H2,1-8H3;3-10,37,41H,1-2H3,(H,29,35)(H,30,36)(H,31,39,43)(H,32,40,44)/p-1/b44-36?,64-41+;;;20-18-
• InChIKey: RADAWIKLBYEHSY-OSJFYUIOSA-M
• XLogP: 38.26
• TPSA: 692.00 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 36
• Rotatable Bonds: 59
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3364.42
LogP ≤ 5	38.26
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(3Z)-3-[1-(3-acetamidophenyl)-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;2-[6-tert-butyl-2-[4-(octylsulfonylamino)phenyl]-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]-4-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylamino)-2-phenylcyclopenta-2,4-dien-1-ylidene]-3-oxocyclobuten-1-olate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[3-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylimino)-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2-(2,2-dimethylbutanoylamino)-4-propan-2-yl-1H-pyrrole-3-carboxylate;3-(dipropylamino)-6-[3-[4-(dipropylamino)-2-(2-ethylhexoxy)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-(2-ethylhexoxy)cyclohexa-2,4-dien-1-one?

The IUPAC name of N-[3-[5-[(3Z)-3-[1-(3-acetamidophenyl)-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;2-[6-tert-butyl-2-[4-(octylsulfonylamino)phenyl]-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]-4-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylamino)-2-phenylcyclopenta-2,4-dien-1-ylidene]-3-oxocyclobuten-1-olate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[3-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylimino)-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2-(2,2-dimethylbutanoylamino)-4-propan-2-yl-1H-pyrrole-3-carboxylate;3-(dipropylamino)-6-[3-[4-(dipropylamino)-2-(2-ethylhexoxy)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-(2-ethylhexoxy)cyclohexa-2,4-dien-1-one (CID 167687892) is N-[3-[5-[(3Z)-3-[1-(3-acetamidophenyl)-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;2-[6-tert-butyl-2-[4-(octylsulfonylamino)phenyl]-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]-4-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylamino)-2-phenylcyclopenta-2,4-dien-1-ylidene]-3-oxocyclobuten-1-olate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[3-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylimino)-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2-(2,2-dimethylbutanoylamino)-4-propan-2-yl-1H-pyrrole-3-carboxylate;3-(dipropylamino)-6-[3-[4-(dipropylamino)-2-(2-ethylhexoxy)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-(2-ethylhexoxy)cyclohexa-2,4-dien-1-one.

What is the SMILES notation for N-[3-[5-[(3Z)-3-[1-(3-acetamidophenyl)-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;2-[6-tert-butyl-2-[4-(octylsulfonylamino)phenyl]-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]-4-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylamino)-2-phenylcyclopenta-2,4-dien-1-ylidene]-3-oxocyclobuten-1-olate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[3-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylimino)-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2-(2,2-dimethylbutanoylamino)-4-propan-2-yl-1H-pyrrole-3-carboxylate;3-(dipropylamino)-6-[3-[4-(dipropylamino)-2-(2-ethylhexoxy)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-(2-ethylhexoxy)cyclohexa-2,4-dien-1-one?

The canonical SMILES for N-[3-[5-[(3Z)-3-[1-(3-acetamidophenyl)-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;2-[6-tert-butyl-2-[4-(octylsulfonylamino)phenyl]-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]-4-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylamino)-2-phenylcyclopenta-2,4-dien-1-ylidene]-3-oxocyclobuten-1-olate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[3-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylimino)-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2-(2,2-dimethylbutanoylamino)-4-propan-2-yl-1H-pyrrole-3-carboxylate;3-(dipropylamino)-6-[3-[4-(dipropylamino)-2-(2-ethylhexoxy)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-(2-ethylhexoxy)cyclohexa-2,4-dien-1-one is CC(=O)Nc1cccc(N2C(=O)/C(=C3\C(=O)C(c4c(O)n(-c5cccc(NC(C)=O)c5)c(=O)[nH]c4=O)=C3O)C(=O)N=C2O)c1.CCC(C)(C)C(=O)/N=C1\CC(=C2C(=O)C(c3[nH]c(NC(=O)C(C)(C)CC)c(C(=O)OC4C(C(C)(C)C)CC(C)CC4C(C)(C)C)c3C(C)C)=C2O)C(C(C)C)=C1C(=O)OC1C(C(C)(C)C)CC(C)CC1C(C)(C)C.CCCCC(CC)COC1=CC(N(CCC)CCC)=CC(=O)C1=C1C(=O)C(c2c(O)cc(N(CCC)CCC)cc2OCC(CC)CCCC)=C1O.CCCCCCCCS(=O)(=O)Nc1ccc(-c2nn3nc(C(C)(C)C)c(C4=C([O-])C(=C5C=C(NC(=O)C(C)(C)CC)C(C(=O)OC6C(C(C)(C)C)CC(C)CC6C(C)(C)C)=C5c5ccccc5)C4=O)c3[nH]2)cc1.

What is the InChIKey of N-[3-[5-[(3Z)-3-[1-(3-acetamidophenyl)-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;2-[6-tert-butyl-2-[4-(octylsulfonylamino)phenyl]-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]-4-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylamino)-2-phenylcyclopenta-2,4-dien-1-ylidene]-3-oxocyclobuten-1-olate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[3-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylimino)-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2-(2,2-dimethylbutanoylamino)-4-propan-2-yl-1H-pyrrole-3-carboxylate;3-(dipropylamino)-6-[3-[4-(dipropylamino)-2-(2-ethylhexoxy)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-(2-ethylhexoxy)cyclohexa-2,4-dien-1-one?

The InChIKey is RADAWIKLBYEHSY-OSJFYUIOSA-M. The full InChI is InChI=1S/C63H99N3O8.C59H80N6O7S.C44H68N2O6.C28H20N6O10/c1-25-62(21,22)56(71)64-41-31-36(42(32(3)4)45(41)54(69)73-51-37(58(9,10)11)27-34(7)28-38(51)59(12,13)14)44-49(67)47(50(44)68)48-43(33(5)6)46(53(65-48)66-57(72)63(23,24)26-2)55(70)74-52-39(60(15,16)17)29-35(8)30-40(52)61(18,19)20;1-15-17-18-19-20-24-31-73(70,71)64-38-29-27-37(28-30-38)52-61-53-47(51(58(10,11)12)62-65(53)63-52)46-48(66)44(49(46)67)39-34-42(60-55(69)59(13,14)16-2)45(43(39)36-25-22-21-23-26-36)54(68)72-50-40(56(4,5)6)32-35(3)33-41(50)57(7,8)9;1-9-17-19-31(15-7)29-51-37-27-33(45(21-11-3)22-12-4)25-35(47)39(37)41-43(49)42(44(41)50)40-36(48)26-34(46(23-13-5)24-14-6)28-38(40)52-30-32(16-8)20-18-10-2;1-11(35)29-13-5-3-7-15(9-13)33-25(41)19(23(39)31-27(33)43)17-21(37)18(22(17)38)20-24(40)32-28(44)34(26(20)42)16-8-4-6-14(10-16)30-12(2)36/h32-35,37-40,51-52,65,67H,25-31H2,1-24H3,(H,66,72);21-23,25-30,34-35,40-41,50,64,66H,15-20,24,31-33H2,1-14H3,(H,60,69)(H,61,63);25-28,31-32,47,49H,9-24,29-30H2,1-8H3;3-10,37,41H,1-2H3,(H,29,35)(H,30,36)(H,31,39,43)(H,32,40,44)/p-1/b44-36?,64-41+;;;20-18-.

What are the key properties of N-[3-[5-[(3Z)-3-[1-(3-acetamidophenyl)-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;2-[6-tert-butyl-2-[4-(octylsulfonylamino)phenyl]-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]-4-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylamino)-2-phenylcyclopenta-2,4-dien-1-ylidene]-3-oxocyclobuten-1-olate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[3-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylimino)-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2-(2,2-dimethylbutanoylamino)-4-propan-2-yl-1H-pyrrole-3-carboxylate;3-(dipropylamino)-6-[3-[4-(dipropylamino)-2-(2-ethylhexoxy)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-(2-ethylhexoxy)cyclohexa-2,4-dien-1-one?

N-[3-[5-[(3Z)-3-[1-(3-acetamidophenyl)-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;2-[6-tert-butyl-2-[4-(octylsulfonylamino)phenyl]-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]-4-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylamino)-2-phenylcyclopenta-2,4-dien-1-ylidene]-3-oxocyclobuten-1-olate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[3-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylimino)-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2-(2,2-dimethylbutanoylamino)-4-propan-2-yl-1H-pyrrole-3-carboxylate;3-(dipropylamino)-6-[3-[4-(dipropylamino)-2-(2-ethylhexoxy)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-(2-ethylhexoxy)cyclohexa-2,4-dien-1-one has a molecular weight of 3364.42 g/mol, XLogP of 38.26, 59 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[(3Z)-3-[1-(3-acetamidophenyl)-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;2-[6-tert-butyl-2-[4-(octylsulfonylamino)phenyl]-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]-4-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylamino)-2-phenylcyclopenta-2,4-dien-1-ylidene]-3-oxocyclobuten-1-olate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[3-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylimino)-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2-(2,2-dimethylbutanoylamino)-4-propan-2-yl-1H-pyrrole-3-carboxylate;3-(dipropylamino)-6-[3-[4-(dipropylamino)-2-(2-ethylhexoxy)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-(2-ethylhexoxy)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 167687892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).