2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]-2-methylpropanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]propanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methylphenoxy]acetic acid;ethyl 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]acetate;6-[(E)-2-[2-(3-fluoro-4-hydroxy-5-methylphenyl)phenyl]ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile;6-[(E)-2-(3-methoxyphenyl)ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile

C103H87FN18O23S6 — CID 159411978

IUPAC2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]-2-methylpropanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]propanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methylphenoxy]acetic acid;ethyl 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]acetate;6-[(E)-2-[2-(3-fluoro-4-hydroxy-5-methylphenyl)phenyl]ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile;6-[(E)-2-(3-methoxyphenyl)ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
SMILESCCOC(=O)COc1c(/C=C/c2[nH]c(=S)[nH]c(=O)c2C#N)cccc1OC.COc1cccc(/C=C/c2[nH]c(=S)[nH]c(=O)c2C#N)c1.COc1cccc(/C=C/c2[nH]c(=S)[nH]c(=O)c2C#N)c1OC(C)(C)C(=O)O.COc1cccc(/C=C/c2[nH]c(=S)[nH]c(=O)c2C#N)c1OC(C)C(=O)O.Cc1cc(-c2ccccc2/C=C/c2[nH]c(=S)[nH]c(=O)c2C#N)cc(F)c1O.Cc1cccc(/C=C/c2[nH]c(=S)[nH]c(=O)c2C#N)c1OCC(=O)O
InChIInChI=1S/C20H14FN3O2S.2C18H17N3O5S.C17H15N3O5S.C16H13N3O4S.C14H11N3O2S/c1-11-8-13(9-16(21)18(11)25)14-5-3-2-4-12(14)6-7-17-15(10-22)19(26)24-20(27)23-17;1-18(2,16(23)24)26-14-10(5-4-6-13(14)25-3)7-8-12-11(9-19)15(22)21-17(27)20-12;1-3-25-15(22)10-26-16-11(5-4-6-14(16)24-2)7-8-13-12(9-19)17(23)21-18(27)20-13;1-9(16(22)23)25-14-10(4-3-5-13(14)24-2)6-7-12-11(8-18)15(21)20-17(26)19-12;1-9-3-2-4-10(14(9)23-8-13(20)21)5-6-12-11(7-17)15(22)19-16(24)18-12;1-19-10-4-2-3-9(7-10)5-6-12-11(8-15)13(18)17-14(20)16-12/h2-9,25H,1H3,(H2,23,24,26,27);4-8H,1-3H3,(H,23,24)(H2,20,21,22,27);4-8H,3,10H2,1-2H3,(H2,20,21,23,27);3-7,9H,1-2H3,(H,22,23)(H2,19,20,21,26);2-6H,8H2,1H3,(H,20,21)(H2,18,19,22,24);2-7H,1H3,(H2,16,17,18,20)/b7-6+;2*8-7+;7-6+;2*6-5+
InChIKeyLORNPCLPNXSLFC-WGXTUGPPSA-N
MW2156.33 g/mol
LogP16.51
Rot. Bonds30

About 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]-2-methylpropanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]propanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methylphenoxy]acetic acid;ethyl 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]acetate;6-[(E)-2-[2-(3-fluoro-4-hydroxy-5-methylphenyl)phenyl]ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile;6-[(E)-2-(3-methoxyphenyl)ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile

2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]-2-methylpropanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]propanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methylphenoxy]acetic acid;ethyl 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]acetate;6-[(E)-2-[2-(3-fluoro-4-hydroxy-5-methylphenyl)phenyl]ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile;6-[(E)-2-(3-methoxyphenyl)ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile (PubChem CID 159411978) has the molecular formula C103H87FN18O23S6 and a molecular weight of 2156.33 g/mol. Its IUPAC name is 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]-2-methylpropanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]propanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methylphenoxy]acetic acid;ethyl 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]acetate;6-[(E)-2-[2-(3-fluoro-4-hydroxy-5-methylphenyl)phenyl]ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile;6-[(E)-2-(3-methoxyphenyl)ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]-2-methylpropanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]propanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methylphenoxy]acetic acid;ethyl 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]acetate;6-[(E)-2-[2-(3-fluoro-4-hydroxy-5-methylphenyl)phenyl]ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile;6-[(E)-2-(3-methoxyphenyl)ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
PubChem CID159411978
Molecular FormulaC103H87FN18O23S6
Molecular Weight2156.33 g/mol
Exact Mass2154.45
IUPAC Name2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]-2-methylpropanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]propanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methylphenoxy]acetic acid;ethyl 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]acetate;6-[(E)-2-[2-(3-fluoro-4-hydroxy-5-methylphenyl)phenyl]ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile;6-[(E)-2-(3-methoxyphenyl)ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
SMILESCCOC(=O)COc1c(/C=C/c2[nH]c(=S)[nH]c(=O)c2C#N)cccc1OC.COc1cccc(/C=C/c2[nH]c(=S)[nH]c(=O)c2C#N)c1.COc1cccc(/C=C/c2[nH]c(=S)[nH]c(=O)c2C#N)c1OC(C)(C)C(=O)O.COc1cccc(/C=C/c2[nH]c(=S)[nH]c(=O)c2C#N)c1OC(C)C(=O)O.Cc1cc(-c2ccccc2/C=C/c2[nH]c(=S)[nH]c(=O)c2C#N)cc(F)c1O.Cc1cccc(/C=C/c2[nH]c(=S)[nH]c(=O)c2C#N)c1OCC(=O)O
InChIInChI=1S/C20H14FN3O2S.2C18H17N3O5S.C17H15N3O5S.C16H13N3O4S.C14H11N3O2S/c1-11-8-13(9-16(21)18(11)25)14-5-3-2-4-12(14)6-7-17-15(10-22)19(26)24-20(27)23-17;1-18(2,16(23)24)26-14-10(5-4-6-13(14)25-3)7-8-12-11(9-19)15(22)21-17(27)20-12;1-3-25-15(22)10-26-16-11(5-4-6-14(16)24-2)7-8-13-12(9-19)17(23)21-18(27)20-13;1-9(16(22)23)25-14-10(4-3-5-13(14)24-2)6-7-12-11(8-18)15(21)20-17(26)19-12;1-9-3-2-4-10(14(9)23-8-13(20)21)5-6-12-11(7-17)15(22)19-16(24)18-12;1-19-10-4-2-3-9(7-10)5-6-12-11(8-15)13(18)17-14(20)16-12/h2-9,25H,1H3,(H2,23,24,26,27);4-8H,1-3H3,(H,23,24)(H2,20,21,22,27);4-8H,3,10H2,1-2H3,(H2,20,21,23,27);3-7,9H,1-2H3,(H,22,23)(H2,19,20,21,26);2-6H,8H2,1H3,(H,20,21)(H2,18,19,22,24);2-7H,1H3,(H2,16,17,18,20)/b7-6+;2*8-7+;7-6+;2*6-5+
InChIKeyLORNPCLPNXSLFC-WGXTUGPPSA-N
XLogP16.51
TPSA666.91 Ų
H-Bond Donors16
H-Bond Acceptors32
Rotatable Bonds30
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002156.33
LogP ≤ 516.51
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]-2-methylpropanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]propanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methylphenoxy]acetic acid;ethyl 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]acetate;6-[(E)-2-[2-(3-fluoro-4-hydroxy-5-methylphenyl)phenyl]ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile;6-[(E)-2-(3-methoxyphenyl)ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]propanoic acid
CID 134433750
6-[(E)-2-(2-ethoxy-3-methoxyphenyl)ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 134433781
2-[2-[(E)-2-(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]acetic acid
CID 134433664
2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-cyclopropyloxyphenoxy]acetic acid
CID 134433758
6-[(E)-2-(3-ethoxy-2-hydroxyphenyl)ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 134433772
6-[2-[2-[(2,4-dioxo-1,3-thiazolidin-5-yl)methoxy]-3-methoxyphenyl]ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 134497318
6-[2-[3-methoxy-2-[(5-sulfanylidene-2H-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 134497011
2-[2-[(E)-2-(5-cyano-2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)ethenyl]-6-methoxyphenoxy]acetic acid
CID 137305420
2-(2,6-dimethylphenoxy)acetic acid;ethyl 2-(2,6-dimethylphenoxy)acetate
CID 158433715
ethyl 2-[2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-methoxyphenoxy]acetate
CID 4661261
ethyl 2-[3-(5-cyano-2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)phenoxy]acetate
CID 168588098
(2R)-2-[2-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]-6-methoxyphenoxy]propanoic acid
CID 126246378

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]-2-methylpropanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]propanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methylphenoxy]acetic acid;ethyl 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]acetate;6-[(E)-2-[2-(3-fluoro-4-hydroxy-5-methylphenyl)phenyl]ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile;6-[(E)-2-(3-methoxyphenyl)ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]-2-methylpropanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]propanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methylphenoxy]acetic acid;ethyl 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]acetate;6-[(E)-2-[2-(3-fluoro-4-hydroxy-5-methylphenyl)phenyl]ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile;6-[(E)-2-(3-methoxyphenyl)ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile (CID 159411978) is 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]-2-methylpropanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]propanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methylphenoxy]acetic acid;ethyl 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]acetate;6-[(E)-2-[2-(3-fluoro-4-hydroxy-5-methylphenyl)phenyl]ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile;6-[(E)-2-(3-methoxyphenyl)ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]-2-methylpropanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]propanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methylphenoxy]acetic acid;ethyl 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]acetate;6-[(E)-2-[2-(3-fluoro-4-hydroxy-5-methylphenyl)phenyl]ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile;6-[(E)-2-(3-methoxyphenyl)ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]-2-methylpropanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]propanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methylphenoxy]acetic acid;ethyl 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]acetate;6-[(E)-2-[2-(3-fluoro-4-hydroxy-5-methylphenyl)phenyl]ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile;6-[(E)-2-(3-methoxyphenyl)ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile is CCOC(=O)COc1c(/C=C/c2[nH]c(=S)[nH]c(=O)c2C#N)cccc1OC.COc1cccc(/C=C/c2[nH]c(=S)[nH]c(=O)c2C#N)c1.COc1cccc(/C=C/c2[nH]c(=S)[nH]c(=O)c2C#N)c1OC(C)(C)C(=O)O.COc1cccc(/C=C/c2[nH]c(=S)[nH]c(=O)c2C#N)c1OC(C)C(=O)O.Cc1cc(-c2ccccc2/C=C/c2[nH]c(=S)[nH]c(=O)c2C#N)cc(F)c1O.Cc1cccc(/C=C/c2[nH]c(=S)[nH]c(=O)c2C#N)c1OCC(=O)O.
What is the InChIKey of 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]-2-methylpropanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]propanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methylphenoxy]acetic acid;ethyl 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]acetate;6-[(E)-2-[2-(3-fluoro-4-hydroxy-5-methylphenyl)phenyl]ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile;6-[(E)-2-(3-methoxyphenyl)ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile?
The InChIKey is LORNPCLPNXSLFC-WGXTUGPPSA-N. The full InChI is InChI=1S/C20H14FN3O2S.2C18H17N3O5S.C17H15N3O5S.C16H13N3O4S.C14H11N3O2S/c1-11-8-13(9-16(21)18(11)25)14-5-3-2-4-12(14)6-7-17-15(10-22)19(26)24-20(27)23-17;1-18(2,16(23)24)26-14-10(5-4-6-13(14)25-3)7-8-12-11(9-19)15(22)21-17(27)20-12;1-3-25-15(22)10-26-16-11(5-4-6-14(16)24-2)7-8-13-12(9-19)17(23)21-18(27)20-13;1-9(16(22)23)25-14-10(4-3-5-13(14)24-2)6-7-12-11(8-18)15(21)20-17(26)19-12;1-9-3-2-4-10(14(9)23-8-13(20)21)5-6-12-11(7-17)15(22)19-16(24)18-12;1-19-10-4-2-3-9(7-10)5-6-12-11(8-15)13(18)17-14(20)16-12/h2-9,25H,1H3,(H2,23,24,26,27);4-8H,1-3H3,(H,23,24)(H2,20,21,22,27);4-8H,3,10H2,1-2H3,(H2,20,21,23,27);3-7,9H,1-2H3,(H,22,23)(H2,19,20,21,26);2-6H,8H2,1H3,(H,20,21)(H2,18,19,22,24);2-7H,1H3,(H2,16,17,18,20)/b7-6+;2*8-7+;7-6+;2*6-5+.
What are the key properties of 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]-2-methylpropanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]propanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methylphenoxy]acetic acid;ethyl 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]acetate;6-[(E)-2-[2-(3-fluoro-4-hydroxy-5-methylphenyl)phenyl]ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile;6-[(E)-2-(3-methoxyphenyl)ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile?
2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]-2-methylpropanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]propanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methylphenoxy]acetic acid;ethyl 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]acetate;6-[(E)-2-[2-(3-fluoro-4-hydroxy-5-methylphenyl)phenyl]ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile;6-[(E)-2-(3-methoxyphenyl)ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile has a molecular weight of 2156.33 g/mol, XLogP of 16.51, 30 rotatable bonds, 16 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]-2-methylpropanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]propanoic acid;2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methylphenoxy]acetic acid;ethyl 2-[2-[(E)-2-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethenyl]-6-methoxyphenoxy]acetate;6-[(E)-2-[2-(3-fluoro-4-hydroxy-5-methylphenyl)phenyl]ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile;6-[(E)-2-(3-methoxyphenyl)ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 159411978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).