2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium

C95H70F13N20S5+5 — CID 159263088

IUPAC2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium
SMILESCc1c(-c2c3nc(F)c(F)nc3c(C(F)(F)F)n[n+]2C)sc2ccccc12.Cc1c(-c2c3nc4ccccc4nc3c(C(F)(F)F)n[n+]2C)sc2ccccc12.Cc1nc2c(C(F)(F)F)n[n+](C)c(-c3sc4ccccc4c3C)c2nc1C.[2H]C([2H])([2H])c1n[n+](C)c(-c2sc3ccccc3c2C)c2nc(F)c(F)nc12.[2H]C([2H])([2H])c1n[n+](C)c(-c2sc3ccccc3c2C)c2nc3ccccc3nc12
InChIInChI=1S/C21H14F3N4S.C21H17N4S.C19H16F3N4S.C17H10F5N4S.C17H13F2N4S/c1-11-12-7-3-6-10-15(12)29-19(11)18-16-17(20(21(22,23)24)27-28(18)2)26-14-9-5-4-8-13(14)25-16;1-12-14-8-4-7-11-17(14)26-21(12)20-19-18(13(2)24-25(20)3)22-15-9-5-6-10-16(15)23-19;1-9-12-7-5-6-8-13(12)27-17(9)16-14-15(24-11(3)10(2)23-14)18(19(20,21)22)25-26(16)4;1-7-8-5-3-4-6-9(8)27-13(7)12-10-11(24-16(19)15(18)23-10)14(17(20,21)22)25-26(12)2;1-8-10-6-4-5-7-11(10)24-15(8)14-13-12(9(2)22-23(14)3)20-16(18)17(19)21-13/h3-10H,1-2H3;4-11H,1-3H3;5-8H,1-4H3;3-6H,1-2H3;4-7H,1-3H3/q5*+1/i;2D3;;;2D3
InChIKeyBXOYRPDKCGEMSV-REJZQIMWSA-N
MW1905.09 g/mol
LogP22.35
Rot. Bonds7

About 2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium

2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium (PubChem CID 159263088) has the molecular formula C95H70F13N20S5+5 and a molecular weight of 1905.09 g/mol. Its IUPAC name is 2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium.

Molecular Properties

Compound Name2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium
PubChem CID159263088
Molecular FormulaC95H70F13N20S5+5
Molecular Weight1905.09 g/mol
Exact Mass1903.48
IUPAC Name2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium
SMILESCc1c(-c2c3nc(F)c(F)nc3c(C(F)(F)F)n[n+]2C)sc2ccccc12.Cc1c(-c2c3nc4ccccc4nc3c(C(F)(F)F)n[n+]2C)sc2ccccc12.Cc1nc2c(C(F)(F)F)n[n+](C)c(-c3sc4ccccc4c3C)c2nc1C.[2H]C([2H])([2H])c1n[n+](C)c(-c2sc3ccccc3c2C)c2nc(F)c(F)nc12.[2H]C([2H])([2H])c1n[n+](C)c(-c2sc3ccccc3c2C)c2nc3ccccc3nc12
InChIInChI=1S/C21H14F3N4S.C21H17N4S.C19H16F3N4S.C17H10F5N4S.C17H13F2N4S/c1-11-12-7-3-6-10-15(12)29-19(11)18-16-17(20(21(22,23)24)27-28(18)2)26-14-9-5-4-8-13(14)25-16;1-12-14-8-4-7-11-17(14)26-21(12)20-19-18(13(2)24-25(20)3)22-15-9-5-6-10-16(15)23-19;1-9-12-7-5-6-8-13(12)27-17(9)16-14-15(24-11(3)10(2)23-14)18(19(20,21)22)25-26(16)4;1-7-8-5-3-4-6-9(8)27-13(7)12-10-11(24-16(19)15(18)23-10)14(17(20,21)22)25-26(12)2;1-8-10-6-4-5-7-11(10)24-15(8)14-13-12(9(2)22-23(14)3)20-16(18)17(19)21-13/h3-10H,1-2H3;4-11H,1-3H3;5-8H,1-4H3;3-6H,1-2H3;4-7H,1-3H3/q5*+1/i;2D3;;;2D3
InChIKeyBXOYRPDKCGEMSV-REJZQIMWSA-N
XLogP22.35
TPSA212.75 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds7
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001905.09
LogP ≤ 522.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium with MolForge

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Related Compounds

2-Methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium
CID 156629510
2,3-Difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;3-methyl-4-(3-methyl-1-benzothiophen-2-yl)benzo[g]pteridin-3-ium;2,3,6-trimethyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;2,3,6-trimethyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium
CID 157564128
2,4-Dimethyl-3-(3-methyl-1-benzothiophen-2-yl)pyridazino[4,3-b]quinoxalin-2-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;2,4,6-trimethyl-3-(3-methyl-1-benzothiophen-2-yl)-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium
CID 157796901
2,4-Dimethyl-3-(3-methyl-1-benzothiophen-2-yl)pyridazino[4,3-b]quinoxalin-2-ium;2-methyl-3-(3-methyl-1-benzothiophen-2-yl)-[1,2,4]triazino[5,6-b]quinoxalin-2-ium;2,6,7-trimethyl-3-(3-methyl-1-benzothiophen-2-yl)pyrazino[2,3-e][1,2,4]triazin-2-ium;2,4,6-trimethyl-3-(3-methyl-1-benzothiophen-2-yl)-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium
CID 159266659
2-(4-Dibenzothiophen-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline
CID 159348167
(1Z,3Z)-1,3-bis[(5-hexylthiophen-2-yl)methylidene]thieno[3,4-b]quinoxaline;(1Z,3Z)-1,3-dibenzylidenethieno[3,4-b]quinoxaline;(1Z,3Z)-1-[(4-methylphenyl)methylidene]-3-[[4-(trifluoromethyl)phenyl]methylidene]thieno[3,4-b]quinoxaline
CID 161036238
3,4-Dimethyl-2-(3-methyl-1-benzothiophen-2-yl)benzo[g]pteridin-3-ium;2-methyl-3-(3-methyl-1-benzothiophen-2-yl)-[1,2,4]triazino[5,6-b]quinoxalin-2-ium;2,6,7-trimethyl-3-(3-methyl-1-benzothiophen-2-yl)pyrazino[2,3-e][1,2,4]triazin-2-ium;3,4,7-trimethyl-2-(3-methyl-1-benzothiophen-2-yl)-6-(trifluoromethyl)pteridin-3-ium
CID 161749591
2-Methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium
CID 156629485
2,9-Bis(4-dibenzothiophen-2-ylphenyl)-4,7-dimethyl-1,10-phenanthroline;2,9-bis(4-dibenzothiophen-4-ylphenyl)-4,7-dimethyl-1,10-phenanthroline;2,9-bis(4-dibenzothiophen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(4-dibenzothiophen-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 159659405
6,7-Difluoro-2,3-dimethyl-4-(3-methyl-1-benzothiophen-2-yl)pteridin-3-ium;3-methyl-4-(3-methyl-1-benzothiophen-2-yl)benzo[g]pteridin-3-ium;2,3,6,7-tetramethyl-4-(3-methyl-1-benzothiophen-2-yl)pteridin-3-ium;3,6,7-trimethyl-4-(3-methyl-1-benzothiophen-2-yl)pteridin-3-ium;2,3,6-trimethyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium
CID 160299723
2-(4-Dibenzothiophen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-9-methyl-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-9-methyl-4,7-diphenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline
CID 160596603
2,3-Bis(4-dibenzothiophen-1-ylphenyl)quinoxaline;2-(4-dibenzothiophen-1-ylphenyl)-3-(4-dibenzothiophen-4-ylphenyl)quinoxaline;7-dibenzothiophen-1-yl-5-(4-phenylphenyl)-1,6-naphthyridine;2-(4-dibenzothiophen-4-ylphenyl)-3-phenylquinoxaline
CID 165059079

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium?
The IUPAC name of 2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium (CID 159263088) is 2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium.
What is the SMILES notation for 2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium?
The canonical SMILES for 2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium is Cc1c(-c2c3nc(F)c(F)nc3c(C(F)(F)F)n[n+]2C)sc2ccccc12.Cc1c(-c2c3nc4ccccc4nc3c(C(F)(F)F)n[n+]2C)sc2ccccc12.Cc1nc2c(C(F)(F)F)n[n+](C)c(-c3sc4ccccc4c3C)c2nc1C.[2H]C([2H])([2H])c1n[n+](C)c(-c2sc3ccccc3c2C)c2nc(F)c(F)nc12.[2H]C([2H])([2H])c1n[n+](C)c(-c2sc3ccccc3c2C)c2nc3ccccc3nc12.
What is the InChIKey of 2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium?
The InChIKey is BXOYRPDKCGEMSV-REJZQIMWSA-N. The full InChI is InChI=1S/C21H14F3N4S.C21H17N4S.C19H16F3N4S.C17H10F5N4S.C17H13F2N4S/c1-11-12-7-3-6-10-15(12)29-19(11)18-16-17(20(21(22,23)24)27-28(18)2)26-14-9-5-4-8-13(14)25-16;1-12-14-8-4-7-11-17(14)26-21(12)20-19-18(13(2)24-25(20)3)22-15-9-5-6-10-16(15)23-19;1-9-12-7-5-6-8-13(12)27-17(9)16-14-15(24-11(3)10(2)23-14)18(19(20,21)22)25-26(16)4;1-7-8-5-3-4-6-9(8)27-13(7)12-10-11(24-16(19)15(18)23-10)14(17(20,21)22)25-26(12)2;1-8-10-6-4-5-7-11(10)24-15(8)14-13-12(9(2)22-23(14)3)20-16(18)17(19)21-13/h3-10H,1-2H3;4-11H,1-3H3;5-8H,1-4H3;3-6H,1-2H3;4-7H,1-3H3/q5*+1/i;2D3;;;2D3.
What are the key properties of 2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium?
2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium has a molecular weight of 1905.09 g/mol, XLogP of 22.35, 7 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-1-(3-methyl-1-benzothiophen-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium is sourced from PubChem (CID 159263088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).