1-acridin-9-yl-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-[2-(2,4-difluorophenoxy)-3-pyridinyl]heptan-2-one;9-tert-butylsulfonyl-1-(3,4-dimethoxyphenyl)nonan-4-one;7-tert-butylsulfonyl-1-[3-(furan-2-yl)-1H-pyrazol-5-yl]heptan-2-one;7-tert-butylsulfonyl-1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)heptan-2-one;dimethyl 4-(7-tert-butylsulfonyl-2-oxoheptyl)thiophene-2,3-dicarboxylate

C128H173F2N5O26S8 — CID 158546963

IUPAC1-acridin-9-yl-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-[2-(2,4-difluorophenoxy)-3-pyridinyl]heptan-2-one;9-tert-butylsulfonyl-1-(3,4-dimethoxyphenyl)nonan-4-one;7-tert-butylsulfonyl-1-[3-(furan-2-yl)-1H-pyrazol-5-yl]heptan-2-one;7-tert-butylsulfonyl-1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)heptan-2-one;dimethyl 4-(7-tert-butylsulfonyl-2-oxoheptyl)thiophene-2,3-dicarboxylate
SMILESCC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1c2ccccc2nc2ccccc12.CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1cc(-c2ccco2)n[nH]1.CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1cccnc1Oc1ccc(F)cc1F.CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1nc(-c2cccc3ccccc23)cs1.COC(=O)c1scc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)c1C(=O)OC.COc1ccc(CCCC(=O)CCCCCS(=O)(=O)C(C)(C)C)cc1OC
InChIInChI=1S/C24H29NO3S2.C24H29NO3S.C22H27F2NO4S.C21H34O5S.C19H28O7S2.C18H26N2O4S/c1-24(2,3)30(27,28)15-8-4-5-12-19(26)16-23-25-22(17-29-23)21-14-9-11-18-10-6-7-13-20(18)21;1-24(2,3)29(27,28)16-10-4-5-11-18(26)17-21-19-12-6-8-14-22(19)25-23-15-9-7-13-20(21)23;1-22(2,3)30(27,28)13-6-4-5-9-18(26)14-16-8-7-12-25-21(16)29-20-11-10-17(23)15-19(20)24;1-21(2,3)27(23,24)15-8-6-7-11-18(22)12-9-10-17-13-14-19(25-4)20(16-17)26-5;1-19(2,3)28(23,24)10-8-6-7-9-14(20)11-13-12-27-16(18(22)26-5)15(13)17(21)25-4;1-18(2,3)25(22,23)11-6-4-5-8-15(21)12-14-13-16(20-19-14)17-9-7-10-24-17/h6-7,9-11,13-14,17H,4-5,8,12,15-16H2,1-3H3;6-9,12-15H,4-5,10-11,16-17H2,1-3H3;7-8,10-12,15H,4-6,9,13-14H2,1-3H3;13-14,16H,6-12,15H2,1-5H3;12H,6-11H2,1-5H3;7,9-10,13H,4-6,8,11-12H2,1-3H3,(H,19,20)
InChIKeyHPFVGTDZQJWPPU-UHFFFAOYSA-N
MW2492.33 g/mol
LogP27.29
Rot. Bonds58

About 1-acridin-9-yl-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-[2-(2,4-difluorophenoxy)-3-pyridinyl]heptan-2-one;9-tert-butylsulfonyl-1-(3,4-dimethoxyphenyl)nonan-4-one;7-tert-butylsulfonyl-1-[3-(furan-2-yl)-1H-pyrazol-5-yl]heptan-2-one;7-tert-butylsulfonyl-1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)heptan-2-one;dimethyl 4-(7-tert-butylsulfonyl-2-oxoheptyl)thiophene-2,3-dicarboxylate

1-acridin-9-yl-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-[2-(2,4-difluorophenoxy)-3-pyridinyl]heptan-2-one;9-tert-butylsulfonyl-1-(3,4-dimethoxyphenyl)nonan-4-one;7-tert-butylsulfonyl-1-[3-(furan-2-yl)-1H-pyrazol-5-yl]heptan-2-one;7-tert-butylsulfonyl-1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)heptan-2-one;dimethyl 4-(7-tert-butylsulfonyl-2-oxoheptyl)thiophene-2,3-dicarboxylate (PubChem CID 158546963) has the molecular formula C128H173F2N5O26S8 and a molecular weight of 2492.33 g/mol. Its IUPAC name is 1-acridin-9-yl-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-[2-(2,4-difluorophenoxy)-3-pyridinyl]heptan-2-one;9-tert-butylsulfonyl-1-(3,4-dimethoxyphenyl)nonan-4-one;7-tert-butylsulfonyl-1-[3-(furan-2-yl)-1H-pyrazol-5-yl]heptan-2-one;7-tert-butylsulfonyl-1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)heptan-2-one;dimethyl 4-(7-tert-butylsulfonyl-2-oxoheptyl)thiophene-2,3-dicarboxylate.

Molecular Properties

Compound Name1-acridin-9-yl-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-[2-(2,4-difluorophenoxy)-3-pyridinyl]heptan-2-one;9-tert-butylsulfonyl-1-(3,4-dimethoxyphenyl)nonan-4-one;7-tert-butylsulfonyl-1-[3-(furan-2-yl)-1H-pyrazol-5-yl]heptan-2-one;7-tert-butylsulfonyl-1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)heptan-2-one;dimethyl 4-(7-tert-butylsulfonyl-2-oxoheptyl)thiophene-2,3-dicarboxylate
PubChem CID158546963
Molecular FormulaC128H173F2N5O26S8
Molecular Weight2492.33 g/mol
Exact Mass2490.01
IUPAC Name1-acridin-9-yl-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-[2-(2,4-difluorophenoxy)-3-pyridinyl]heptan-2-one;9-tert-butylsulfonyl-1-(3,4-dimethoxyphenyl)nonan-4-one;7-tert-butylsulfonyl-1-[3-(furan-2-yl)-1H-pyrazol-5-yl]heptan-2-one;7-tert-butylsulfonyl-1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)heptan-2-one;dimethyl 4-(7-tert-butylsulfonyl-2-oxoheptyl)thiophene-2,3-dicarboxylate
SMILESCC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1c2ccccc2nc2ccccc12.CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1cc(-c2ccco2)n[nH]1.CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1cccnc1Oc1ccc(F)cc1F.CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1nc(-c2cccc3ccccc23)cs1.COC(=O)c1scc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)c1C(=O)OC.COc1ccc(CCCC(=O)CCCCCS(=O)(=O)C(C)(C)C)cc1OC
InChIInChI=1S/C24H29NO3S2.C24H29NO3S.C22H27F2NO4S.C21H34O5S.C19H28O7S2.C18H26N2O4S/c1-24(2,3)30(27,28)15-8-4-5-12-19(26)16-23-25-22(17-29-23)21-14-9-11-18-10-6-7-13-20(18)21;1-24(2,3)29(27,28)16-10-4-5-11-18(26)17-21-19-12-6-8-14-22(19)25-23-15-9-7-13-20(21)23;1-22(2,3)30(27,28)13-6-4-5-9-18(26)14-16-8-7-12-25-21(16)29-20-11-10-17(23)15-19(20)24;1-21(2,3)27(23,24)15-8-6-7-11-18(22)12-9-10-17-13-14-19(25-4)20(16-17)26-5;1-19(2,3)28(23,24)10-8-6-7-9-14(20)11-13-12-27-16(18(22)26-5)15(13)17(21)25-4;1-18(2,3)25(22,23)11-6-4-5-8-15(21)12-14-13-16(20-19-14)17-9-7-10-24-17/h6-7,9-11,13-14,17H,4-5,8,12,15-16H2,1-3H3;6-9,12-15H,4-5,10-11,16-17H2,1-3H3;7-8,10-12,15H,4-6,9,13-14H2,1-3H3;13-14,16H,6-12,15H2,1-5H3;12H,6-11H2,1-5H3;7,9-10,13H,4-6,8,11-12H2,1-3H3,(H,19,20)
InChIKeyHPFVGTDZQJWPPU-UHFFFAOYSA-N
XLogP27.29
TPSA468.04 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds58
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002492.33
LogP ≤ 527.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 1-acridin-9-yl-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-[2-(2,4-difluorophenoxy)-3-pyridinyl]heptan-2-one;9-tert-butylsulfonyl-1-(3,4-dimethoxyphenyl)nonan-4-one;7-tert-butylsulfonyl-1-[3-(furan-2-yl)-1H-pyrazol-5-yl]heptan-2-one;7-tert-butylsulfonyl-1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)heptan-2-one;dimethyl 4-(7-tert-butylsulfonyl-2-oxoheptyl)thiophene-2,3-dicarboxylate 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

4-decylmorpholine;2-(2,4-difluorophenoxy)-3-heptylpyridine;1,2-dimethoxy-4-nonylbenzene;dimethyl 4-heptylthiophene-2,3-dicarboxylate;N-ethyl-N-nonylaniline;3-(furan-2-yl)-5-heptyl-1H-pyrazole;9-heptylacridine;heptakis(propane-2-thiol);tetradecahydrate
CID 158284000
2-acridin-9-yl-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-[(2,6-dichlorophenyl)methylsulfanyl]butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[2-(2,4-difluorophenoxy)-3-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(3,4-dimethoxyphenyl)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(N-ethylanilino)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)-1H-pyrazol-5-yl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-5-morpholin-4-ylpentan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)ethanone;dimethyl 4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]thiophene-2,3-dicarboxylate
CID 159068750
4-decylmorpholine;2-(2,4-difluorophenoxy)-3-heptylpyridine;1,2-dimethoxy-4-nonylbenzene;dimethyl 4-heptylthiophene-2,3-dicarboxylate;3-(furan-2-yl)-5-heptyl-1H-pyrazole;9-heptylacridine;hexakis(2-methylpropane-2-thiol);dodecahydrate
CID 159209786
2-(2,4-difluorophenoxy)-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]pyridine;1,2-dimethoxy-4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzene;dimethyl 4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]thiophene-2,3-dicarboxylate;N-ethyl-N-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]aniline;3-(furan-2-yl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1H-pyrazole;9-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]acridine;4-[5-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentyl]morpholine
CID 159214793
2-(2,4-difluorophenoxy)-3-[2-(4-methylcyclohexyl)ethyl]pyridine;dimethyl 4-[2-(4-methylcyclohexyl)ethyl]thiophene-2,3-dicarboxylate;3-(furan-2-yl)-5-[2-(4-methylcyclohexyl)ethyl]-1H-pyrazole;6-methoxy-3-[2-(4-methylcyclohexyl)ethyl]-2-phenylsulfanylpyridine;9-[2-(4-methylcyclohexyl)ethyl]acridine;2-[2-(4-methylcyclohexyl)ethyl]-4-naphthalen-1-yl-1,3-thiazole;hexakis(propane-2-thiol);dodecahydrate
CID 159225107
2-acridin-9-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[2-(2,4-difluorophenoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;4-(3,4-dimethoxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butan-1-one;dimethyl 4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]thiophene-2,3-dicarboxylate;2-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone
CID 159444045
1-acridin-9-yl-7-propan-2-ylsulfonylheptan-2-one;1-[2-(2,4-difluorophenoxy)-3-pyridinyl]-7-propan-2-ylsulfonylheptan-2-one;1-(3,4-dimethoxyphenyl)-9-propan-2-ylsulfonylnonan-4-one;dimethyl 4-(2-oxo-7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;1-[3-(furan-2-yl)-1H-pyrazol-5-yl]-7-propan-2-ylsulfonylheptan-2-one;1-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)-7-propan-2-ylsulfonylheptan-2-one;1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-7-propan-2-ylsulfonylheptan-2-one
CID 159485887
2-(2,4-difluorophenoxy)-3-[2-(4-methylcyclohexyl)ethyl]pyridine;1,2-dimethoxy-4-[4-(4-methylcyclohexyl)butyl]benzene;dimethyl 4-[2-(4-methylcyclohexyl)ethyl]thiophene-2,3-dicarboxylate;N-ethyl-N-[4-(4-methylcyclohexyl)butyl]aniline;3-(furan-2-yl)-5-[2-(4-methylcyclohexyl)ethyl]-1H-pyrazole;9-[2-(4-methylcyclohexyl)ethyl]acridine;4-[5-(4-methylcyclohexyl)pentyl]morpholine;heptakis(propane-2-thiol);tetradecahydrate
CID 160053662
N-acridin-9-yl-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;dimethyl 4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]thiophene-2,3-dicarboxylate;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3-morpholin-4-ylpropyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 160300952
2-[(2,4-difluorophenyl)methyl]-3-(7-propan-2-ylsulfonylheptyl)pyridine;1,2-dimethoxy-4-(9-propan-2-ylsulfonylnonyl)benzene;dimethyl 4-(7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;3-(furan-2-yl)-5-(7-propan-2-ylsulfonylheptyl)-1H-pyrazole;4-naphthalen-1-yl-2-(7-propan-2-ylsulfonylheptyl)-1,3-thiazole;4-(10-propan-2-ylsulfonyldecyl)morpholine;9-(7-propan-2-ylsulfonylheptyl)acridine
CID 160949115
9-(7-tert-butylsulfonylheptyl)acridine;3-(7-tert-butylsulfonylheptyl)-2-(2,4-difluorophenoxy)pyridine;5-(7-tert-butylsulfonylheptyl)-3-(furan-2-yl)-1H-pyrazole;2-(7-tert-butylsulfonylheptyl)-4-naphthalen-1-yl-1,3-thiazole;4-(9-tert-butylsulfonylnonyl)-1,2-dimethoxybenzene;dimethyl 4-(7-tert-butylsulfonylheptyl)thiophene-2,3-dicarboxylate
CID 162188458
4-decylmorpholine;2-[(2,4-difluorophenyl)methyl]-3-heptylpyridine;1,2-dimethoxy-4-nonylbenzene;dimethyl 4-heptylthiophene-2,3-dicarboxylate;3-(furan-2-yl)-5-heptyl-1H-pyrazole;9-heptylacridine;2-heptyl-4-naphthalen-1-yl-1,3-thiazole;heptakis(propane-2-thiol);tetradecahydrate
CID 162198469

Frequently Asked Questions

What is the IUPAC name of 1-acridin-9-yl-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-[2-(2,4-difluorophenoxy)-3-pyridinyl]heptan-2-one;9-tert-butylsulfonyl-1-(3,4-dimethoxyphenyl)nonan-4-one;7-tert-butylsulfonyl-1-[3-(furan-2-yl)-1H-pyrazol-5-yl]heptan-2-one;7-tert-butylsulfonyl-1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)heptan-2-one;dimethyl 4-(7-tert-butylsulfonyl-2-oxoheptyl)thiophene-2,3-dicarboxylate?
The IUPAC name of 1-acridin-9-yl-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-[2-(2,4-difluorophenoxy)-3-pyridinyl]heptan-2-one;9-tert-butylsulfonyl-1-(3,4-dimethoxyphenyl)nonan-4-one;7-tert-butylsulfonyl-1-[3-(furan-2-yl)-1H-pyrazol-5-yl]heptan-2-one;7-tert-butylsulfonyl-1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)heptan-2-one;dimethyl 4-(7-tert-butylsulfonyl-2-oxoheptyl)thiophene-2,3-dicarboxylate (CID 158546963) is 1-acridin-9-yl-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-[2-(2,4-difluorophenoxy)-3-pyridinyl]heptan-2-one;9-tert-butylsulfonyl-1-(3,4-dimethoxyphenyl)nonan-4-one;7-tert-butylsulfonyl-1-[3-(furan-2-yl)-1H-pyrazol-5-yl]heptan-2-one;7-tert-butylsulfonyl-1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)heptan-2-one;dimethyl 4-(7-tert-butylsulfonyl-2-oxoheptyl)thiophene-2,3-dicarboxylate.
What is the SMILES notation for 1-acridin-9-yl-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-[2-(2,4-difluorophenoxy)-3-pyridinyl]heptan-2-one;9-tert-butylsulfonyl-1-(3,4-dimethoxyphenyl)nonan-4-one;7-tert-butylsulfonyl-1-[3-(furan-2-yl)-1H-pyrazol-5-yl]heptan-2-one;7-tert-butylsulfonyl-1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)heptan-2-one;dimethyl 4-(7-tert-butylsulfonyl-2-oxoheptyl)thiophene-2,3-dicarboxylate?
The canonical SMILES for 1-acridin-9-yl-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-[2-(2,4-difluorophenoxy)-3-pyridinyl]heptan-2-one;9-tert-butylsulfonyl-1-(3,4-dimethoxyphenyl)nonan-4-one;7-tert-butylsulfonyl-1-[3-(furan-2-yl)-1H-pyrazol-5-yl]heptan-2-one;7-tert-butylsulfonyl-1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)heptan-2-one;dimethyl 4-(7-tert-butylsulfonyl-2-oxoheptyl)thiophene-2,3-dicarboxylate is CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1c2ccccc2nc2ccccc12.CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1cc(-c2ccco2)n[nH]1.CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1cccnc1Oc1ccc(F)cc1F.CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1nc(-c2cccc3ccccc23)cs1.COC(=O)c1scc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)c1C(=O)OC.COc1ccc(CCCC(=O)CCCCCS(=O)(=O)C(C)(C)C)cc1OC.
What is the InChIKey of 1-acridin-9-yl-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-[2-(2,4-difluorophenoxy)-3-pyridinyl]heptan-2-one;9-tert-butylsulfonyl-1-(3,4-dimethoxyphenyl)nonan-4-one;7-tert-butylsulfonyl-1-[3-(furan-2-yl)-1H-pyrazol-5-yl]heptan-2-one;7-tert-butylsulfonyl-1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)heptan-2-one;dimethyl 4-(7-tert-butylsulfonyl-2-oxoheptyl)thiophene-2,3-dicarboxylate?
The InChIKey is HPFVGTDZQJWPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3S2.C24H29NO3S.C22H27F2NO4S.C21H34O5S.C19H28O7S2.C18H26N2O4S/c1-24(2,3)30(27,28)15-8-4-5-12-19(26)16-23-25-22(17-29-23)21-14-9-11-18-10-6-7-13-20(18)21;1-24(2,3)29(27,28)16-10-4-5-11-18(26)17-21-19-12-6-8-14-22(19)25-23-15-9-7-13-20(21)23;1-22(2,3)30(27,28)13-6-4-5-9-18(26)14-16-8-7-12-25-21(16)29-20-11-10-17(23)15-19(20)24;1-21(2,3)27(23,24)15-8-6-7-11-18(22)12-9-10-17-13-14-19(25-4)20(16-17)26-5;1-19(2,3)28(23,24)10-8-6-7-9-14(20)11-13-12-27-16(18(22)26-5)15(13)17(21)25-4;1-18(2,3)25(22,23)11-6-4-5-8-15(21)12-14-13-16(20-19-14)17-9-7-10-24-17/h6-7,9-11,13-14,17H,4-5,8,12,15-16H2,1-3H3;6-9,12-15H,4-5,10-11,16-17H2,1-3H3;7-8,10-12,15H,4-6,9,13-14H2,1-3H3;13-14,16H,6-12,15H2,1-5H3;12H,6-11H2,1-5H3;7,9-10,13H,4-6,8,11-12H2,1-3H3,(H,19,20).
What are the key properties of 1-acridin-9-yl-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-[2-(2,4-difluorophenoxy)-3-pyridinyl]heptan-2-one;9-tert-butylsulfonyl-1-(3,4-dimethoxyphenyl)nonan-4-one;7-tert-butylsulfonyl-1-[3-(furan-2-yl)-1H-pyrazol-5-yl]heptan-2-one;7-tert-butylsulfonyl-1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)heptan-2-one;dimethyl 4-(7-tert-butylsulfonyl-2-oxoheptyl)thiophene-2,3-dicarboxylate?
1-acridin-9-yl-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-[2-(2,4-difluorophenoxy)-3-pyridinyl]heptan-2-one;9-tert-butylsulfonyl-1-(3,4-dimethoxyphenyl)nonan-4-one;7-tert-butylsulfonyl-1-[3-(furan-2-yl)-1H-pyrazol-5-yl]heptan-2-one;7-tert-butylsulfonyl-1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)heptan-2-one;dimethyl 4-(7-tert-butylsulfonyl-2-oxoheptyl)thiophene-2,3-dicarboxylate has a molecular weight of 2492.33 g/mol, XLogP of 27.29, 58 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acridin-9-yl-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-[2-(2,4-difluorophenoxy)-3-pyridinyl]heptan-2-one;9-tert-butylsulfonyl-1-(3,4-dimethoxyphenyl)nonan-4-one;7-tert-butylsulfonyl-1-[3-(furan-2-yl)-1H-pyrazol-5-yl]heptan-2-one;7-tert-butylsulfonyl-1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)heptan-2-one;dimethyl 4-(7-tert-butylsulfonyl-2-oxoheptyl)thiophene-2,3-dicarboxylate is sourced from PubChem (CID 158546963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).