N-[3-[2-benzyl-5-hydroxy-6-(5-methylthiophen-2-yl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclobutyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclopropyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-6-(2-methylbutan-2-yl)-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-propan-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;methane

C117H156N20O30S11 — CID 157153897

IUPACN-[3-[2-benzyl-5-hydroxy-6-(5-methylthiophen-2-yl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclobutyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclopropyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-6-(2-methylbutan-2-yl)-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-propan-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;methane
SMILESC.C.C.C.C.CC(C)CCn1nc(C(C)C)c(O)c(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O.CC(C)CCn1nc(C2CC2)c(O)c(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O.CC(C)CCn1nc(C2CCC2)c(O)c(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O.CCC(C)(C)c1nn(CCC(C)C)c(=O)c(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1O.Cc1ccc(-c2nn(Cc3ccccc3)c(=O)c(C3=CS(=O)(=O)c4cc(NS(C)(=O)=O)ccc4N3)c2O)s1
InChIInChI=1S/C25H22N4O6S3.C23H32N4O6S2.C22H28N4O6S2.C21H26N4O6S2.C21H28N4O6S2.5CH4/c1-15-8-11-20(36-15)23-24(30)22(25(31)29(27-23)13-16-6-4-3-5-7-16)19-14-38(34,35)21-12-17(28-37(2,32)33)9-10-18(21)26-19;1-7-23(4,5)21-20(28)19(22(29)27(25-21)11-10-14(2)3)17-13-35(32,33)18-12-15(26-34(6,30)31)8-9-16(18)24-17;1-13(2)9-10-26-22(28)19(21(27)20(24-26)14-5-4-6-14)17-12-34(31,32)18-11-15(25-33(3,29)30)7-8-16(18)23-17;1-12(2)8-9-25-21(27)18(20(26)19(23-25)13-4-5-13)16-11-33(30,31)17-10-14(24-32(3,28)29)6-7-15(17)22-16;1-12(2)8-9-25-21(27)18(20(26)19(23-25)13(3)4)16-11-33(30,31)17-10-14(24-32(5,28)29)6-7-15(17)22-16;;;;;/h3-12,14,26,28,30H,13H2,1-2H3;8-9,12-14,24,26,28H,7,10-11H2,1-6H3;7-8,11-14,23,25,27H,4-6,9-10H2,1-3H3;6-7,10-13,22,24,26H,4-5,8-9H2,1-3H3;6-7,10-13,22,24,26H,8-9H2,1-5H3;5*1H4
InChIKeyALOSKIWGSRLIPQ-UHFFFAOYSA-N
MW2675.38 g/mol
LogP18.00
Rot. Bonds35

About N-[3-[2-benzyl-5-hydroxy-6-(5-methylthiophen-2-yl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclobutyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclopropyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-6-(2-methylbutan-2-yl)-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-propan-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;methane

N-[3-[2-benzyl-5-hydroxy-6-(5-methylthiophen-2-yl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclobutyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclopropyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-6-(2-methylbutan-2-yl)-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-propan-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;methane (PubChem CID 157153897) has the molecular formula C117H156N20O30S11 and a molecular weight of 2675.38 g/mol. Its IUPAC name is N-[3-[2-benzyl-5-hydroxy-6-(5-methylthiophen-2-yl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclobutyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclopropyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-6-(2-methylbutan-2-yl)-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-propan-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;methane.

Molecular Properties

Compound NameN-[3-[2-benzyl-5-hydroxy-6-(5-methylthiophen-2-yl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclobutyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclopropyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-6-(2-methylbutan-2-yl)-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-propan-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;methane
PubChem CID157153897
Molecular FormulaC117H156N20O30S11
Molecular Weight2675.38 g/mol
Exact Mass2672.82
IUPAC NameN-[3-[2-benzyl-5-hydroxy-6-(5-methylthiophen-2-yl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclobutyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclopropyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-6-(2-methylbutan-2-yl)-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-propan-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;methane
SMILESC.C.C.C.C.CC(C)CCn1nc(C(C)C)c(O)c(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O.CC(C)CCn1nc(C2CC2)c(O)c(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O.CC(C)CCn1nc(C2CCC2)c(O)c(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O.CCC(C)(C)c1nn(CCC(C)C)c(=O)c(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1O.Cc1ccc(-c2nn(Cc3ccccc3)c(=O)c(C3=CS(=O)(=O)c4cc(NS(C)(=O)=O)ccc4N3)c2O)s1
InChIInChI=1S/C25H22N4O6S3.C23H32N4O6S2.C22H28N4O6S2.C21H26N4O6S2.C21H28N4O6S2.5CH4/c1-15-8-11-20(36-15)23-24(30)22(25(31)29(27-23)13-16-6-4-3-5-7-16)19-14-38(34,35)21-12-17(28-37(2,32)33)9-10-18(21)26-19;1-7-23(4,5)21-20(28)19(22(29)27(25-21)11-10-14(2)3)17-13-35(32,33)18-12-15(26-34(6,30)31)8-9-16(18)24-17;1-13(2)9-10-26-22(28)19(21(27)20(24-26)14-5-4-6-14)17-12-34(31,32)18-11-15(25-33(3,29)30)7-8-16(18)23-17;1-12(2)8-9-25-21(27)18(20(26)19(23-25)13-4-5-13)16-11-33(30,31)17-10-14(24-32(3,28)29)6-7-15(17)22-16;1-12(2)8-9-25-21(27)18(20(26)19(23-25)13(3)4)16-11-33(30,31)17-10-14(24-32(5,28)29)6-7-15(17)22-16;;;;;/h3-12,14,26,28,30H,13H2,1-2H3;8-9,12-14,24,26,28H,7,10-11H2,1-6H3;7-8,11-14,23,25,27H,4-6,9-10H2,1-3H3;6-7,10-13,22,24,26H,4-5,8-9H2,1-3H3;6-7,10-13,22,24,26H,8-9H2,1-5H3;5*1H4
InChIKeyALOSKIWGSRLIPQ-UHFFFAOYSA-N
XLogP18.00
TPSA737.30 Ų
H-Bond Donors15
H-Bond Acceptors46
Rotatable Bonds35
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002675.38
LogP ≤ 518.00
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1046

Analyze N-[3-[2-benzyl-5-hydroxy-6-(5-methylthiophen-2-yl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclobutyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclopropyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-6-(2-methylbutan-2-yl)-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-propan-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-benzyl-5-hydroxy-3-oxo-6-thiophen-2-ylpyridazin-4-yl)-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[2-(cyclopropylmethyl)-5-hydroxy-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[2-(3,3-dimethylpentyl)-5-hydroxy-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-phenylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;methane
CID 157474115
N-[3-[2-(2-ethylpentyl)-5-hydroxy-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide
CID 71097630
N-[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)pyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide
CID 135907885
4-(1,1-dioxo-4H-1λ6,4-benzothiazin-3-yl)-5-hydroxy-2-(3-methylbutyl)-6-thiophen-2-ylpyridazin-3-one
CID 59706375
5-hydroxy-6-(2-methylbutan-2-yl)-2-(3-methylbutyl)-4-[7-(methylsulfanylamino)-1-oxo-4H-1λ4,4-benzothiazin-3-yl]pyridazin-3-one
CID 143662063
N-[3-[6-tert-butyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]cyclopropanesulfonamide
CID 135907846
N-[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]propane-2-sulfonamide
CID 135907975
N-[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-methyl-2-oxoquinolin-3-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide
CID 54727992
N-[3-[2-tert-butyl-1-[(4-fluorophenyl)methyl]-3-hydroxy-5-oxo-2H-pyrrol-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide
CID 68624430
5-hydroxy-2-(3-methylbutyl)-4-(7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-6-thiophen-2-ylpyridazin-3-one
CID 143717710
N-[3-[(2S)-2-tert-butyl-1-(3,3-dimethylbutyl)-3-hydroxy-5-oxo-2H-pyrrol-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide
CID 54728379
N-[3-[1-[(3-chloro-4-fluorophenyl)methyl]-6-fluoro-4-hydroxy-2-oxoquinolin-3-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide
CID 54728009

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-benzyl-5-hydroxy-6-(5-methylthiophen-2-yl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclobutyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclopropyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-6-(2-methylbutan-2-yl)-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-propan-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;methane?
The IUPAC name of N-[3-[2-benzyl-5-hydroxy-6-(5-methylthiophen-2-yl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclobutyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclopropyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-6-(2-methylbutan-2-yl)-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-propan-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;methane (CID 157153897) is N-[3-[2-benzyl-5-hydroxy-6-(5-methylthiophen-2-yl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclobutyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclopropyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-6-(2-methylbutan-2-yl)-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-propan-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;methane.
What is the SMILES notation for N-[3-[2-benzyl-5-hydroxy-6-(5-methylthiophen-2-yl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclobutyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclopropyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-6-(2-methylbutan-2-yl)-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-propan-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;methane?
The canonical SMILES for N-[3-[2-benzyl-5-hydroxy-6-(5-methylthiophen-2-yl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclobutyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclopropyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-6-(2-methylbutan-2-yl)-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-propan-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;methane is C.C.C.C.C.CC(C)CCn1nc(C(C)C)c(O)c(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O.CC(C)CCn1nc(C2CC2)c(O)c(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O.CC(C)CCn1nc(C2CCC2)c(O)c(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O.CCC(C)(C)c1nn(CCC(C)C)c(=O)c(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1O.Cc1ccc(-c2nn(Cc3ccccc3)c(=O)c(C3=CS(=O)(=O)c4cc(NS(C)(=O)=O)ccc4N3)c2O)s1.
What is the InChIKey of N-[3-[2-benzyl-5-hydroxy-6-(5-methylthiophen-2-yl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclobutyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclopropyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-6-(2-methylbutan-2-yl)-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-propan-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;methane?
The InChIKey is ALOSKIWGSRLIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O6S3.C23H32N4O6S2.C22H28N4O6S2.C21H26N4O6S2.C21H28N4O6S2.5CH4/c1-15-8-11-20(36-15)23-24(30)22(25(31)29(27-23)13-16-6-4-3-5-7-16)19-14-38(34,35)21-12-17(28-37(2,32)33)9-10-18(21)26-19;1-7-23(4,5)21-20(28)19(22(29)27(25-21)11-10-14(2)3)17-13-35(32,33)18-12-15(26-34(6,30)31)8-9-16(18)24-17;1-13(2)9-10-26-22(28)19(21(27)20(24-26)14-5-4-6-14)17-12-34(31,32)18-11-15(25-33(3,29)30)7-8-16(18)23-17;1-12(2)8-9-25-21(27)18(20(26)19(23-25)13-4-5-13)16-11-33(30,31)17-10-14(24-32(3,28)29)6-7-15(17)22-16;1-12(2)8-9-25-21(27)18(20(26)19(23-25)13(3)4)16-11-33(30,31)17-10-14(24-32(5,28)29)6-7-15(17)22-16;;;;;/h3-12,14,26,28,30H,13H2,1-2H3;8-9,12-14,24,26,28H,7,10-11H2,1-6H3;7-8,11-14,23,25,27H,4-6,9-10H2,1-3H3;6-7,10-13,22,24,26H,4-5,8-9H2,1-3H3;6-7,10-13,22,24,26H,8-9H2,1-5H3;5*1H4.
What are the key properties of N-[3-[2-benzyl-5-hydroxy-6-(5-methylthiophen-2-yl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclobutyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclopropyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-6-(2-methylbutan-2-yl)-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-propan-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;methane?
N-[3-[2-benzyl-5-hydroxy-6-(5-methylthiophen-2-yl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclobutyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclopropyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-6-(2-methylbutan-2-yl)-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-propan-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;methane has a molecular weight of 2675.38 g/mol, XLogP of 18.00, 35 rotatable bonds, 15 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-benzyl-5-hydroxy-6-(5-methylthiophen-2-yl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclobutyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[6-cyclopropyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-6-(2-methylbutan-2-yl)-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-propan-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide;methane is sourced from PubChem (CID 157153897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).