6-butyl-5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)pyridazin-3-one;2-[[3-(2,6-dibutyl-5-hydroxy-3-oxopyridazin-4-yl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;N-hydroxy-2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]butanamide

C126H153N27O34S8 — CID 159948003

IUPAC6-butyl-5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)pyridazin-3-one;2-[[3-(2,6-dibutyl-5-hydroxy-3-oxopyridazin-4-yl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;N-hydroxy-2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]butanamide
SMILESCC(C)CCn1nc(-c2cccs2)c(O)c(C2=NS(=O)(=O)c3cc(OCC(=O)NO)ccc3N2)c1=O.CCC(Oc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c(-c3cccs3)nn(CCC(C)C)c1=O)N2)C(N)=O.CCCCc1nn(CCC(C)C)c(=O)c(C2=NS(=O)(=O)c3cc(O)ccc3N2)c1O.CCCCc1nn(CCCC)c(=O)c(C2=NS(=O)(=O)c3cc(OCC(N)=O)ccc3N2)c1O.CCCc1nn(CCC(C)C)c(=O)c(C2=NS(=O)(=O)c3cc(O)ccc3N2)c1O.CCCc1nn(CCC(C)C)c(=O)c(C2=NS(=O)(=O)c3cc(OC)ccc3N2)c1O
InChIInChI=1S/C24H27N5O6S2.C22H23N5O7S2.C21H27N5O6S.2C20H26N4O5S.C19H24N4O5S/c1-4-16(22(25)31)35-14-7-8-15-18(12-14)37(33,34)28-23(26-15)19-21(30)20(17-6-5-11-36-17)27-29(24(19)32)10-9-13(2)3;1-12(2)7-8-27-22(30)18(20(29)19(24-27)15-4-3-9-35-15)21-23-14-6-5-13(34-11-17(28)25-31)10-16(14)36(32,33)26-21;1-3-5-7-15-19(28)18(21(29)26(24-15)10-6-4-2)20-23-14-9-8-13(32-12-17(22)27)11-16(14)33(30,31)25-20;1-5-6-15-18(25)17(20(26)24(22-15)10-9-12(2)3)19-21-14-8-7-13(29-4)11-16(14)30(27,28)23-19;1-4-5-6-15-18(26)17(20(27)24(22-15)10-9-12(2)3)19-21-14-8-7-13(25)11-16(14)30(28,29)23-19;1-4-5-14-17(25)16(19(26)23(21-14)9-8-11(2)3)18-20-13-7-6-12(24)10-15(13)29(27,28)22-18/h5-8,11-13,16,30H,4,9-10H2,1-3H3,(H2,25,31)(H,26,28);3-6,9-10,12,29,31H,7-8,11H2,1-2H3,(H,23,26)(H,25,28);8-9,11,28H,3-7,10,12H2,1-2H3,(H2,22,27)(H,23,25);7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,21,23);7-8,11-12,25-26H,4-6,9-10H2,1-3H3,(H,21,23);6-7,10-11,24-25H,4-5,8-9H2,1-3H3,(H,20,22)
InChIKeyOBSSSXVGYUOZQE-UHFFFAOYSA-N
MW2846.30 g/mol
LogP13.95
Rot. Bonds47

About 6-butyl-5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)pyridazin-3-one;2-[[3-(2,6-dibutyl-5-hydroxy-3-oxopyridazin-4-yl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;N-hydroxy-2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]butanamide

6-butyl-5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)pyridazin-3-one;2-[[3-(2,6-dibutyl-5-hydroxy-3-oxopyridazin-4-yl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;N-hydroxy-2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]butanamide (PubChem CID 159948003) has the molecular formula C126H153N27O34S8 and a molecular weight of 2846.30 g/mol. Its IUPAC name is 6-butyl-5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)pyridazin-3-one;2-[[3-(2,6-dibutyl-5-hydroxy-3-oxopyridazin-4-yl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;N-hydroxy-2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]butanamide.

Molecular Properties

Compound Name6-butyl-5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)pyridazin-3-one;2-[[3-(2,6-dibutyl-5-hydroxy-3-oxopyridazin-4-yl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;N-hydroxy-2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]butanamide
PubChem CID159948003
Molecular FormulaC126H153N27O34S8
Molecular Weight2846.30 g/mol
Exact Mass2843.88
IUPAC Name6-butyl-5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)pyridazin-3-one;2-[[3-(2,6-dibutyl-5-hydroxy-3-oxopyridazin-4-yl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;N-hydroxy-2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]butanamide
SMILESCC(C)CCn1nc(-c2cccs2)c(O)c(C2=NS(=O)(=O)c3cc(OCC(=O)NO)ccc3N2)c1=O.CCC(Oc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c(-c3cccs3)nn(CCC(C)C)c1=O)N2)C(N)=O.CCCCc1nn(CCC(C)C)c(=O)c(C2=NS(=O)(=O)c3cc(O)ccc3N2)c1O.CCCCc1nn(CCCC)c(=O)c(C2=NS(=O)(=O)c3cc(OCC(N)=O)ccc3N2)c1O.CCCc1nn(CCC(C)C)c(=O)c(C2=NS(=O)(=O)c3cc(O)ccc3N2)c1O.CCCc1nn(CCC(C)C)c(=O)c(C2=NS(=O)(=O)c3cc(OC)ccc3N2)c1O
InChIInChI=1S/C24H27N5O6S2.C22H23N5O7S2.C21H27N5O6S.2C20H26N4O5S.C19H24N4O5S/c1-4-16(22(25)31)35-14-7-8-15-18(12-14)37(33,34)28-23(26-15)19-21(30)20(17-6-5-11-36-17)27-29(24(19)32)10-9-13(2)3;1-12(2)7-8-27-22(30)18(20(29)19(24-27)15-4-3-9-35-15)21-23-14-6-5-13(34-11-17(28)25-31)10-16(14)36(32,33)26-21;1-3-5-7-15-19(28)18(21(29)26(24-15)10-6-4-2)20-23-14-9-8-13(32-12-17(22)27)11-16(14)33(30,31)25-20;1-5-6-15-18(25)17(20(26)24(22-15)10-9-12(2)3)19-21-14-8-7-13(29-4)11-16(14)30(27,28)23-19;1-4-5-6-15-18(26)17(20(27)24(22-15)10-9-12(2)3)19-21-14-8-7-13(25)11-16(14)30(28,29)23-19;1-4-5-14-17(25)16(19(26)23(21-14)9-8-11(2)3)18-20-13-7-6-12(24)10-15(13)29(27,28)22-18/h5-8,11-13,16,30H,4,9-10H2,1-3H3,(H2,25,31)(H,26,28);3-6,9-10,12,29,31H,7-8,11H2,1-2H3,(H,23,26)(H,25,28);8-9,11,28H,3-7,10,12H2,1-2H3,(H2,22,27)(H,23,25);7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,21,23);7-8,11-12,25-26H,4-6,9-10H2,1-3H3,(H,21,23);6-7,10-11,24-25H,4-5,8-9H2,1-3H3,(H,20,22)
InChIKeyOBSSSXVGYUOZQE-UHFFFAOYSA-N
XLogP13.95
TPSA894.79 Ų
H-Bond Donors18
H-Bond Acceptors54
Rotatable Bonds47
Heavy Atoms195
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002846.30
LogP ≤ 513.95
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-butyl-5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)pyridazin-3-one;2-[[3-(2,6-dibutyl-5-hydroxy-3-oxopyridazin-4-yl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;N-hydroxy-2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]butanamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)pyridazin-3-one;2-[[3-(2,6-dibutyl-5-hydroxy-3-oxopyridazin-4-yl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;N-hydroxy-2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]butanamide?
The IUPAC name of 6-butyl-5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)pyridazin-3-one;2-[[3-(2,6-dibutyl-5-hydroxy-3-oxopyridazin-4-yl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;N-hydroxy-2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]butanamide (CID 159948003) is 6-butyl-5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)pyridazin-3-one;2-[[3-(2,6-dibutyl-5-hydroxy-3-oxopyridazin-4-yl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;N-hydroxy-2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]butanamide.
What is the SMILES notation for 6-butyl-5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)pyridazin-3-one;2-[[3-(2,6-dibutyl-5-hydroxy-3-oxopyridazin-4-yl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;N-hydroxy-2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]butanamide?
The canonical SMILES for 6-butyl-5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)pyridazin-3-one;2-[[3-(2,6-dibutyl-5-hydroxy-3-oxopyridazin-4-yl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;N-hydroxy-2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]butanamide is CC(C)CCn1nc(-c2cccs2)c(O)c(C2=NS(=O)(=O)c3cc(OCC(=O)NO)ccc3N2)c1=O.CCC(Oc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c(-c3cccs3)nn(CCC(C)C)c1=O)N2)C(N)=O.CCCCc1nn(CCC(C)C)c(=O)c(C2=NS(=O)(=O)c3cc(O)ccc3N2)c1O.CCCCc1nn(CCCC)c(=O)c(C2=NS(=O)(=O)c3cc(OCC(N)=O)ccc3N2)c1O.CCCc1nn(CCC(C)C)c(=O)c(C2=NS(=O)(=O)c3cc(O)ccc3N2)c1O.CCCc1nn(CCC(C)C)c(=O)c(C2=NS(=O)(=O)c3cc(OC)ccc3N2)c1O.
What is the InChIKey of 6-butyl-5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)pyridazin-3-one;2-[[3-(2,6-dibutyl-5-hydroxy-3-oxopyridazin-4-yl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;N-hydroxy-2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]butanamide?
The InChIKey is OBSSSXVGYUOZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O6S2.C22H23N5O7S2.C21H27N5O6S.2C20H26N4O5S.C19H24N4O5S/c1-4-16(22(25)31)35-14-7-8-15-18(12-14)37(33,34)28-23(26-15)19-21(30)20(17-6-5-11-36-17)27-29(24(19)32)10-9-13(2)3;1-12(2)7-8-27-22(30)18(20(29)19(24-27)15-4-3-9-35-15)21-23-14-6-5-13(34-11-17(28)25-31)10-16(14)36(32,33)26-21;1-3-5-7-15-19(28)18(21(29)26(24-15)10-6-4-2)20-23-14-9-8-13(32-12-17(22)27)11-16(14)33(30,31)25-20;1-5-6-15-18(25)17(20(26)24(22-15)10-9-12(2)3)19-21-14-8-7-13(29-4)11-16(14)30(27,28)23-19;1-4-5-6-15-18(26)17(20(27)24(22-15)10-9-12(2)3)19-21-14-8-7-13(25)11-16(14)30(28,29)23-19;1-4-5-14-17(25)16(19(26)23(21-14)9-8-11(2)3)18-20-13-7-6-12(24)10-15(13)29(27,28)22-18/h5-8,11-13,16,30H,4,9-10H2,1-3H3,(H2,25,31)(H,26,28);3-6,9-10,12,29,31H,7-8,11H2,1-2H3,(H,23,26)(H,25,28);8-9,11,28H,3-7,10,12H2,1-2H3,(H2,22,27)(H,23,25);7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,21,23);7-8,11-12,25-26H,4-6,9-10H2,1-3H3,(H,21,23);6-7,10-11,24-25H,4-5,8-9H2,1-3H3,(H,20,22).
What are the key properties of 6-butyl-5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)pyridazin-3-one;2-[[3-(2,6-dibutyl-5-hydroxy-3-oxopyridazin-4-yl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;N-hydroxy-2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]butanamide?
6-butyl-5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)pyridazin-3-one;2-[[3-(2,6-dibutyl-5-hydroxy-3-oxopyridazin-4-yl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;N-hydroxy-2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]butanamide has a molecular weight of 2846.30 g/mol, XLogP of 13.95, 47 rotatable bonds, 18 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)pyridazin-3-one;2-[[3-(2,6-dibutyl-5-hydroxy-3-oxopyridazin-4-yl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;N-hydroxy-2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide;5-hydroxy-4-(7-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-propylpyridazin-3-one;2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]butanamide is sourced from PubChem (CID 159948003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).