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

C136H218F2N6O19S9 — CID 159225107

IUPAC2-(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
SMILESCC(C)S.CC(C)S.CC(C)S.CC(C)S.CC(C)S.CC(C)S.CC1CCC(CCc2c3ccccc3nc3ccccc23)CC1.CC1CCC(CCc2cc(-c3ccco3)n[nH]2)CC1.CC1CCC(CCc2cccnc2Oc2ccc(F)cc2F)CC1.CC1CCC(CCc2nc(-c3cccc4ccccc34)cs2)CC1.COC(=O)c1scc(CCC2CCC(C)CC2)c1C(=O)OC.COc1ccc(CCC2CCC(C)CC2)c(Sc2ccccc2)n1.O.O.O.O.O.O.O.O.O.O.O.O
InChIInChI=1S/C22H25NS.C22H25N.C21H27NOS.C20H23F2NO.C17H24O4S.C16H22N2O.6C3H8S.12H2O/c1-16-9-11-17(12-10-16)13-14-22-23-21(15-24-22)20-8-4-6-18-5-2-3-7-19(18)20;1-16-10-12-17(13-11-16)14-15-18-19-6-2-4-8-21(19)23-22-9-5-3-7-20(18)22;1-16-8-10-17(11-9-16)12-13-18-14-15-20(23-2)22-21(18)24-19-6-4-3-5-7-19;1-14-4-6-15(7-5-14)8-9-16-3-2-12-23-20(16)24-19-11-10-17(21)13-18(19)22;1-11-4-6-12(7-5-11)8-9-13-10-22-15(17(19)21-3)14(13)16(18)20-2;1-12-4-6-13(7-5-12)8-9-14-11-15(18-17-14)16-3-2-10-19-16;6*1-3(2)4;;;;;;;;;;;;/h2-8,15-17H,9-14H2,1H3;2-9,16-17H,10-15H2,1H3;3-7,14-17H,8-13H2,1-2H3;2-3,10-15H,4-9H2,1H3;10-12H,4-9H2,1-3H3;2-3,10-13H,4-9H2,1H3,(H,17,18);6*3-4H,1-2H3;12*1H2
InChIKeyCYWRLCYPICIHKO-UHFFFAOYSA-N
MW2567.86 g/mol
LogP31.34
Rot. Bonds27

About 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

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 (PubChem CID 159225107) has the molecular formula C136H218F2N6O19S9 and a molecular weight of 2567.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID159225107
Molecular FormulaC136H218F2N6O19S9
Molecular Weight2567.86 g/mol
Exact Mass2565.37
IUPAC Name2-(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
SMILESCC(C)S.CC(C)S.CC(C)S.CC(C)S.CC(C)S.CC(C)S.CC1CCC(CCc2c3ccccc3nc3ccccc23)CC1.CC1CCC(CCc2cc(-c3ccco3)n[nH]2)CC1.CC1CCC(CCc2cccnc2Oc2ccc(F)cc2F)CC1.CC1CCC(CCc2nc(-c3cccc4ccccc34)cs2)CC1.COC(=O)c1scc(CCC2CCC(C)CC2)c1C(=O)OC.COc1ccc(CCC2CCC(C)CC2)c(Sc2ccccc2)n1.O.O.O.O.O.O.O.O.O.O.O.O
InChIInChI=1S/C22H25NS.C22H25N.C21H27NOS.C20H23F2NO.C17H24O4S.C16H22N2O.6C3H8S.12H2O/c1-16-9-11-17(12-10-16)13-14-22-23-21(15-24-22)20-8-4-6-18-5-2-3-7-19(18)20;1-16-10-12-17(13-11-16)14-15-18-19-6-2-4-8-21(19)23-22-9-5-3-7-20(18)22;1-16-8-10-17(11-9-16)12-13-18-14-15-20(23-2)22-21(18)24-19-6-4-3-5-7-19;1-14-4-6-15(7-5-14)8-9-16-3-2-12-23-20(16)24-19-11-10-17(21)13-18(19)22;1-11-4-6-12(7-5-11)8-9-13-10-22-15(17(19)21-3)14(13)16(18)20-2;1-12-4-6-13(7-5-12)8-9-14-11-15(18-17-14)16-3-2-10-19-16;6*1-3(2)4;;;;;;;;;;;;/h2-8,15-17H,9-14H2,1H3;2-9,16-17H,10-15H2,1H3;3-7,14-17H,8-13H2,1-2H3;2-3,10-15H,4-9H2,1H3;10-12H,4-9H2,1-3H3;2-3,10-13H,4-9H2,1H3,(H,17,18);6*3-4H,1-2H3;12*1H2
InChIKeyCYWRLCYPICIHKO-UHFFFAOYSA-N
XLogP31.34
TPSA542.44 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds27
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002567.86
LogP ≤ 531.34
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

2-tert-butyl-1,3-benzothiazole;3-tert-butyl-5-cyclopropyl-1H-pyrazole;1-tert-butyl-6-fluoro-1,2,3,4-tetrahydronaphthalene;5-tert-butyl-3-(furan-2-yl)-1H-pyrazole;3-tert-butyl-5-methyl-1H-pyrazole;5-tert-butyl-3-phenyl-1H-pyrazole;5-tert-butyl-3-[(E)-prop-1-enyl]-1H-pyrazole;[3-(5-tert-butyl-1H-pyrazol-3-yl)-5-methoxyphenyl]methanol;2-(5-tert-butyl-1H-pyrazol-3-yl)pyridine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]piperazine;8-tert-butylquinoline;1-[(2R)-3,3-dimethylbutan-2-yl]-4-fluorobenzene;1-(3,3-dimethylbutan-2-yl)-4-fluorobenzene;ethyl 5-tert-butyl-1H-pyrazole-3-carboxylate
CID 157454868
N'-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentane-1,5-diamine;dimethyl 4-(5-aminopentylamino)thiophene-2,3-dicarboxylate;N'-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentane-1,5-diamine;N'-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)pentane-1,5-diamine;9-methylacridine;N'-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pentane-1,5-diamine;pentane-1,5-diamine;octakis(propane-2-thiol);N'-quinolin-3-ylpentane-1,5-diamine;N'-quinolin-6-ylpentane-1,5-diamine;hexadecahydrate
CID 157567459
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
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
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-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-[(4-aminocyclohexyl)methyl]acridin-9-amine;N-[(4-aminocyclohexyl)methyl]-2-(2,4-difluorophenoxy)pyridin-3-amine;N-[(4-aminocyclohexyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine;N-[(4-aminocyclohexyl)methyl]-6-methoxy-2-phenylsulfanylpyridin-3-amine;N-[(4-aminocyclohexyl)methyl]-4-naphthalen-1-yl-1,3-thiazol-2-amine;dimethyl 4-[(4-aminocyclohexyl)methylamino]thiophene-2,3-dicarboxylate;hexakis(propane-2-sulfinate)
CID 160395794
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)S.CC(C)S.CC(C)S.CC(C)S.CC(C)S.CC(C)S.CC1CCC(CCc2c3ccccc3nc3ccccc23)CC1.CC1CCC(CCc2cc(-c3ccco3)n[nH]2)CC1.CC1CCC(CCc2cccnc2Oc2ccc(F)cc2F)CC1.CC1CCC(CCc2nc(-c3cccc4ccccc34)cs2)CC1.COC(=O)c1scc(CCC2CCC(C)CC2)c1C(=O)OC.COc1ccc(CCC2CCC(C)CC2)c(Sc2ccccc2)n1.O.O.O.O.O.O.O.O.O.O.O.O.
What is the InChIKey of 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?
The InChIKey is CYWRLCYPICIHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NS.C22H25N.C21H27NOS.C20H23F2NO.C17H24O4S.C16H22N2O.6C3H8S.12H2O/c1-16-9-11-17(12-10-16)13-14-22-23-21(15-24-22)20-8-4-6-18-5-2-3-7-19(18)20;1-16-10-12-17(13-11-16)14-15-18-19-6-2-4-8-21(19)23-22-9-5-3-7-20(18)22;1-16-8-10-17(11-9-16)12-13-18-14-15-20(23-2)22-21(18)24-19-6-4-3-5-7-19;1-14-4-6-15(7-5-14)8-9-16-3-2-12-23-20(16)24-19-11-10-17(21)13-18(19)22;1-11-4-6-12(7-5-11)8-9-13-10-22-15(17(19)21-3)14(13)16(18)20-2;1-12-4-6-13(7-5-12)8-9-14-11-15(18-17-14)16-3-2-10-19-16;6*1-3(2)4;;;;;;;;;;;;/h2-8,15-17H,9-14H2,1H3;2-9,16-17H,10-15H2,1H3;3-7,14-17H,8-13H2,1-2H3;2-3,10-15H,4-9H2,1H3;10-12H,4-9H2,1-3H3;2-3,10-13H,4-9H2,1H3,(H,17,18);6*3-4H,1-2H3;12*1H2.
What are the key properties of 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?
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 has a molecular weight of 2567.86 g/mol, XLogP of 31.34, 27 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159225107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).