1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indol-3-yl)butane-1,4-dione

C162H158N10O18S2 — CID 157478108

IUPAC1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indol-3-yl)butane-1,4-dione
SMILESCCc1ccccc1C(=O)CCC(=O)c1c[nH]c2ccccc12.CCc1ccccc1C(=O)CCC(=O)c1ccc2occc2c1.CCc1ccccc1C(=O)CCC(=O)c1ccc2sccc2c1.CCc1ccccc1C(=O)CCC(=O)c1n[nH]c2ccccc12.CN(C)Cc1ccccc1C(=O)CCC(=O)c1c[nH]c2ccccc12.CN(C)Cc1ccccc1C(=O)CCC(=O)c1ccc2occc2c1.CN(C)Cc1ccccc1C(=O)CCC(=O)c1ccc2sccc2c1.CN(C)Cc1ccccc1C(=O)CCC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C21H22N2O2.C21H21NO3.C21H21NO2S.C20H21N3O2.C20H19NO2.C20H18O3.C20H18O2S.C19H18N2O2/c1-23(2)14-15-7-3-4-8-16(15)20(24)11-12-21(25)18-13-22-19-10-6-5-9-17(18)19;2*1-22(2)14-17-5-3-4-6-18(17)20(24)9-8-19(23)15-7-10-21-16(13-15)11-12-25-21;1-23(2)13-14-7-3-4-8-15(14)18(24)11-12-19(25)20-16-9-5-6-10-17(16)21-22-20;1-2-14-7-3-4-8-15(14)19(22)11-12-20(23)17-13-21-18-10-6-5-9-16(17)18;2*1-2-14-5-3-4-6-17(14)19(22)9-8-18(21)15-7-10-20-16(13-15)11-12-23-20;1-2-13-7-3-4-8-14(13)17(22)11-12-18(23)19-15-9-5-6-10-16(15)20-21-19/h3-10,13,22H,11-12,14H2,1-2H3;2*3-7,10-13H,8-9,14H2,1-2H3;3-10H,11-13H2,1-2H3,(H,21,22);3-10,13,21H,2,11-12H2,1H3;2*3-7,10-13H,2,8-9H2,1H3;3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeyBVVJHTAYYIOCSO-UHFFFAOYSA-N
MW2597.23 g/mol
LogP35.39
Rot. Bonds52

About 1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indol-3-yl)butane-1,4-dione

1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indol-3-yl)butane-1,4-dione (PubChem CID 157478108) has the molecular formula C162H158N10O18S2 and a molecular weight of 2597.23 g/mol. Its IUPAC name is 1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indol-3-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indol-3-yl)butane-1,4-dione
PubChem CID157478108
Molecular FormulaC162H158N10O18S2
Molecular Weight2597.23 g/mol
Exact Mass2595.12
IUPAC Name1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indol-3-yl)butane-1,4-dione
SMILESCCc1ccccc1C(=O)CCC(=O)c1c[nH]c2ccccc12.CCc1ccccc1C(=O)CCC(=O)c1ccc2occc2c1.CCc1ccccc1C(=O)CCC(=O)c1ccc2sccc2c1.CCc1ccccc1C(=O)CCC(=O)c1n[nH]c2ccccc12.CN(C)Cc1ccccc1C(=O)CCC(=O)c1c[nH]c2ccccc12.CN(C)Cc1ccccc1C(=O)CCC(=O)c1ccc2occc2c1.CN(C)Cc1ccccc1C(=O)CCC(=O)c1ccc2sccc2c1.CN(C)Cc1ccccc1C(=O)CCC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C21H22N2O2.C21H21NO3.C21H21NO2S.C20H21N3O2.C20H19NO2.C20H18O3.C20H18O2S.C19H18N2O2/c1-23(2)14-15-7-3-4-8-16(15)20(24)11-12-21(25)18-13-22-19-10-6-5-9-17(18)19;2*1-22(2)14-17-5-3-4-6-18(17)20(24)9-8-19(23)15-7-10-21-16(13-15)11-12-25-21;1-23(2)13-14-7-3-4-8-15(14)18(24)11-12-19(25)20-16-9-5-6-10-17(16)21-22-20;1-2-14-7-3-4-8-15(14)19(22)11-12-20(23)17-13-21-18-10-6-5-9-16(17)18;2*1-2-14-5-3-4-6-17(14)19(22)9-8-18(21)15-7-10-20-16(13-15)11-12-23-20;1-2-13-7-3-4-8-14(13)17(22)11-12-18(23)19-15-9-5-6-10-16(15)20-21-19/h3-10,13,22H,11-12,14H2,1-2H3;2*3-7,10-13H,8-9,14H2,1-2H3;3-10H,11-13H2,1-2H3,(H,21,22);3-10,13,21H,2,11-12H2,1H3;2*3-7,10-13H,2,8-9H2,1H3;3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeyBVVJHTAYYIOCSO-UHFFFAOYSA-N
XLogP35.39
TPSA401.30 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds52
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002597.23
LogP ≤ 535.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indol-3-yl)butane-1,4-dione with MolForge

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Related Compounds

1-(1-benzofuran-2-yl)-4,4,4-trifluorobutane-1,3-dione;1-(1-benzothiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione;1,3-bis(furan-2-yl)propane-1,3-dione;1-dibenzofuran-2-yl-4,4,4-trifluorobutane-1,3-dione;1-dibenzothiophen-2-yl-4,4,4-trifluorobutane-1,3-dione;1,3-dipyridin-2-ylpropane-1,3-dione;1,3-dithiophen-2-ylpropane-1,3-dione;4,4,4-trifluoro-1-(1H-indol-3-yl)butane-1,3-dione
CID 160219531
1-(1-benzofuran-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-5-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indazol-5-yl)butane-1,4-dione
CID 160641585
3-[2-(1-benzofuran-3-yl)-4-(1H-indol-3-yl)-1-benzothiophen-3-yl]-1-methylindazole
CID 140997535
1-[4-(2-benzofuran-1-yl)-5-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-3-(1H-pyrazol-3-yl)phenyl]-2H-isoindole
CID 141019378
2-[3-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-4-(1H-pyrazol-3-yl)phenyl]quinoline
CID 141080146
4-[2-(1-benzothiophen-2-yl)-4-(furan-2-yl)-6-(1H-indol-2-yl)-7-(1H-pyrazol-3-yl)-3-thiophen-2-yl-1-benzofuran-5-yl]-1H-benzotriazole
CID 141105119
3,4-bis(2-benzofuran-1-yl)-5-(1-benzothiophen-2-yl)-6-phenylsulfanyl-2-(1H-pyrazol-3-yl)-1H-indole
CID 141138079
2,3-Dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2,3-trimethylindole;1,2,3-trimethylnaphthalene;1,3,4-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole;1,2-xylene
CID 157173412
tert-butylbenzene;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-1-benzothiophene;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole
CID 157342503
1-[1-(benzenesulfonyl)indol-3-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-(1-benzofuran-2-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-(1-benzothiophen-2-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-(1-benzothiophen-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-(1-benzylindol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;3-(4-ethanimidoylphenyl)-1-(1H-indol-2-yl)propan-1-one;3-(4-ethanimidoylphenyl)-1-(1H-indol-3-yl)propan-1-one
CID 157613780
tert-butylbenzene;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole
CID 157679396
2,3-Dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2,3-trimethylindole;1,3,4-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole;1,2-xylene
CID 157847463

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indol-3-yl)butane-1,4-dione?
The IUPAC name of 1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indol-3-yl)butane-1,4-dione (CID 157478108) is 1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indol-3-yl)butane-1,4-dione.
What is the SMILES notation for 1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indol-3-yl)butane-1,4-dione?
The canonical SMILES for 1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indol-3-yl)butane-1,4-dione is CCc1ccccc1C(=O)CCC(=O)c1c[nH]c2ccccc12.CCc1ccccc1C(=O)CCC(=O)c1ccc2occc2c1.CCc1ccccc1C(=O)CCC(=O)c1ccc2sccc2c1.CCc1ccccc1C(=O)CCC(=O)c1n[nH]c2ccccc12.CN(C)Cc1ccccc1C(=O)CCC(=O)c1c[nH]c2ccccc12.CN(C)Cc1ccccc1C(=O)CCC(=O)c1ccc2occc2c1.CN(C)Cc1ccccc1C(=O)CCC(=O)c1ccc2sccc2c1.CN(C)Cc1ccccc1C(=O)CCC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of 1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indol-3-yl)butane-1,4-dione?
The InChIKey is BVVJHTAYYIOCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2.C21H21NO3.C21H21NO2S.C20H21N3O2.C20H19NO2.C20H18O3.C20H18O2S.C19H18N2O2/c1-23(2)14-15-7-3-4-8-16(15)20(24)11-12-21(25)18-13-22-19-10-6-5-9-17(18)19;2*1-22(2)14-17-5-3-4-6-18(17)20(24)9-8-19(23)15-7-10-21-16(13-15)11-12-25-21;1-23(2)13-14-7-3-4-8-15(14)18(24)11-12-19(25)20-16-9-5-6-10-17(16)21-22-20;1-2-14-7-3-4-8-15(14)19(22)11-12-20(23)17-13-21-18-10-6-5-9-16(17)18;2*1-2-14-5-3-4-6-17(14)19(22)9-8-18(21)15-7-10-20-16(13-15)11-12-23-20;1-2-13-7-3-4-8-14(13)17(22)11-12-18(23)19-15-9-5-6-10-16(15)20-21-19/h3-10,13,22H,11-12,14H2,1-2H3;2*3-7,10-13H,8-9,14H2,1-2H3;3-10H,11-13H2,1-2H3,(H,21,22);3-10,13,21H,2,11-12H2,1H3;2*3-7,10-13H,2,8-9H2,1H3;3-10H,2,11-12H2,1H3,(H,20,21).
What are the key properties of 1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indol-3-yl)butane-1,4-dione?
1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indol-3-yl)butane-1,4-dione has a molecular weight of 2597.23 g/mol, XLogP of 35.39, 52 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indol-3-yl)butane-1,4-dione is sourced from PubChem (CID 157478108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).