5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;5-[3-(4-ethylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]isoindole-1,3-dione

C156H149F6N7O23S4 — CID 158354231

IUPAC5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;5-[3-(4-ethylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(OCC)cc4)cc3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(SCC)cn4)cc3C2=O)C(=O)C1.C=C1CCC(N2Cc3cc(CCC(=O)c4ccc(SC(F)(F)F)cc4)ccc3C2=O)C(=O)C1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(SC(F)(F)F)cc4)cc3C2=O)C(=O)C1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(SCC)cc4)cc3C2=O)C(=O)C1.C=C1CC[C@](C)(N2Cc3cc(CCC(=O)c4ccc(CC)cc4)ccc3C2=O)C(=O)C1
InChIInChI=1S/C27H27NO4S.C27H29NO3.C26H22F3NO4S.C26H25NO5.C25H22F3NO3S.C25H24N2O4S/c1-4-33-20-9-7-19(8-10-20)23(29)12-6-18-5-11-21-22(16-18)26(32)28(25(21)31)27(3)14-13-17(2)15-24(27)30;1-4-19-5-9-21(10-6-19)24(29)12-8-20-7-11-23-22(16-20)17-28(26(23)31)27(3)14-13-18(2)15-25(27)30;1-15-11-12-25(2,22(32)13-15)30-23(33)19-9-3-16(14-20(19)24(30)34)4-10-21(31)17-5-7-18(8-6-17)35-26(27,28)29;1-3-32-19-9-7-18(8-10-19)23(28)13-6-17-5-11-20-21(15-17)26(31)27(25(20)30)22-12-4-16(2)14-24(22)29;1-15-2-10-21(23(31)12-15)29-14-18-13-16(3-9-20(18)24(29)32)4-11-22(30)17-5-7-19(8-6-17)33-25(26,27)28;1-3-32-17-7-9-20(26-14-17)22(28)11-6-16-5-8-18-19(13-16)25(31)27(24(18)30)21-10-4-15(2)12-23(21)29/h5,7-11,16H,2,4,6,12-15H2,1,3H3;5-7,9-11,16H,2,4,8,12-15,17H2,1,3H3;3,5-9,14H,1,4,10-13H2,2H3;5,7-11,15,22H,2-4,6,12-14H2,1H3;3,5-9,13,21H,1-2,4,10-12,14H2;5,7-9,13-14,21H,2-4,6,10-12H2,1H3/t2*27-;25-;;;/m000.../s1
InChIKeyGSRKCQJNMAIICV-LNZODVQJSA-N
MW2732.19 g/mol
LogP30.35
Rot. Bonds39

About 5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;5-[3-(4-ethylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]isoindole-1,3-dione

5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;5-[3-(4-ethylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]isoindole-1,3-dione (PubChem CID 158354231) has the molecular formula C156H149F6N7O23S4 and a molecular weight of 2732.19 g/mol. Its IUPAC name is 5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;5-[3-(4-ethylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;5-[3-(4-ethylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]isoindole-1,3-dione
PubChem CID158354231
Molecular FormulaC156H149F6N7O23S4
Molecular Weight2732.19 g/mol
Exact Mass2729.95
IUPAC Name5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;5-[3-(4-ethylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(OCC)cc4)cc3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(SCC)cn4)cc3C2=O)C(=O)C1.C=C1CCC(N2Cc3cc(CCC(=O)c4ccc(SC(F)(F)F)cc4)ccc3C2=O)C(=O)C1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(SC(F)(F)F)cc4)cc3C2=O)C(=O)C1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(SCC)cc4)cc3C2=O)C(=O)C1.C=C1CC[C@](C)(N2Cc3cc(CCC(=O)c4ccc(CC)cc4)ccc3C2=O)C(=O)C1
InChIInChI=1S/C27H27NO4S.C27H29NO3.C26H22F3NO4S.C26H25NO5.C25H22F3NO3S.C25H24N2O4S/c1-4-33-20-9-7-19(8-10-20)23(29)12-6-18-5-11-21-22(16-18)26(32)28(25(21)31)27(3)14-13-17(2)15-24(27)30;1-4-19-5-9-21(10-6-19)24(29)12-8-20-7-11-23-22(16-20)17-28(26(23)31)27(3)14-13-18(2)15-25(27)30;1-15-11-12-25(2,22(32)13-15)30-23(33)19-9-3-16(14-20(19)24(30)34)4-10-21(31)17-5-7-18(8-6-17)35-26(27,28)29;1-3-32-19-9-7-18(8-10-19)23(28)13-6-17-5-11-20-21(15-17)26(31)27(25(20)30)22-12-4-16(2)14-24(22)29;1-15-2-10-21(23(31)12-15)29-14-18-13-16(3-9-20(18)24(29)32)4-11-22(30)17-5-7-19(8-6-17)33-25(26,27)28;1-3-32-17-7-9-20(26-14-17)22(28)11-6-16-5-8-18-19(13-16)25(31)27(24(18)30)21-10-4-15(2)12-23(21)29/h5,7-11,16H,2,4,6,12-15H2,1,3H3;5-7,9-11,16H,2,4,8,12-15,17H2,1,3H3;3,5-9,14H,1,4,10-13H2,2H3;5,7-11,15,22H,2-4,6,12-14H2,1H3;3,5-9,13,21H,1-2,4,10-12,14H2;5,7-9,13-14,21H,2-4,6,10-12H2,1H3/t2*27-;25-;;;/m000.../s1
InChIKeyGSRKCQJNMAIICV-LNZODVQJSA-N
XLogP30.35
TPSA417.10 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds39
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002732.19
LogP ≤ 530.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;5-[3-(4-ethylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]isoindole-1,3-dione with MolForge

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Launch Full Analysis

Related Compounds

CID 157820447
CID 157820447
CID 157984825
CID 157984825
5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;5-[3-(4-ethylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]isoindole-1,3-dione
CID 162225440
CID 158972063
CID 158972063
5-[3-(5-bromo-2-pyridinyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(4-tert-butylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-iodophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methylsulfanylphenyl)-3-oxobutyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione
CID 159101229
CID 159784776
CID 159784776
5-[3-(4-tert-butylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(6-ethoxy-3-pyridinyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(5-methylsulfanyl-2-pyridinyl)-3-oxopropyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(5-methylsulfonyl-2-pyridinyl)-3-oxopropyl]isoindole-1,3-dione
CID 161750106

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;5-[3-(4-ethylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]isoindole-1,3-dione?
The IUPAC name of 5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;5-[3-(4-ethylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]isoindole-1,3-dione (CID 158354231) is 5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;5-[3-(4-ethylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]isoindole-1,3-dione.
What is the SMILES notation for 5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;5-[3-(4-ethylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]isoindole-1,3-dione?
The canonical SMILES for 5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;5-[3-(4-ethylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]isoindole-1,3-dione is C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(OCC)cc4)cc3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(SCC)cn4)cc3C2=O)C(=O)C1.C=C1CCC(N2Cc3cc(CCC(=O)c4ccc(SC(F)(F)F)cc4)ccc3C2=O)C(=O)C1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(SC(F)(F)F)cc4)cc3C2=O)C(=O)C1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(SCC)cc4)cc3C2=O)C(=O)C1.C=C1CC[C@](C)(N2Cc3cc(CCC(=O)c4ccc(CC)cc4)ccc3C2=O)C(=O)C1.
What is the InChIKey of 5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;5-[3-(4-ethylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]isoindole-1,3-dione?
The InChIKey is GSRKCQJNMAIICV-LNZODVQJSA-N. The full InChI is InChI=1S/C27H27NO4S.C27H29NO3.C26H22F3NO4S.C26H25NO5.C25H22F3NO3S.C25H24N2O4S/c1-4-33-20-9-7-19(8-10-20)23(29)12-6-18-5-11-21-22(16-18)26(32)28(25(21)31)27(3)14-13-17(2)15-24(27)30;1-4-19-5-9-21(10-6-19)24(29)12-8-20-7-11-23-22(16-20)17-28(26(23)31)27(3)14-13-18(2)15-25(27)30;1-15-11-12-25(2,22(32)13-15)30-23(33)19-9-3-16(14-20(19)24(30)34)4-10-21(31)17-5-7-18(8-6-17)35-26(27,28)29;1-3-32-19-9-7-18(8-10-19)23(28)13-6-17-5-11-20-21(15-17)26(31)27(25(20)30)22-12-4-16(2)14-24(22)29;1-15-2-10-21(23(31)12-15)29-14-18-13-16(3-9-20(18)24(29)32)4-11-22(30)17-5-7-19(8-6-17)33-25(26,27)28;1-3-32-17-7-9-20(26-14-17)22(28)11-6-16-5-8-18-19(13-16)25(31)27(24(18)30)21-10-4-15(2)12-23(21)29/h5,7-11,16H,2,4,6,12-15H2,1,3H3;5-7,9-11,16H,2,4,8,12-15,17H2,1,3H3;3,5-9,14H,1,4,10-13H2,2H3;5,7-11,15,22H,2-4,6,12-14H2,1H3;3,5-9,13,21H,1-2,4,10-12,14H2;5,7-9,13-14,21H,2-4,6,10-12H2,1H3/t2*27-;25-;;;/m000.../s1.
What are the key properties of 5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;5-[3-(4-ethylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]isoindole-1,3-dione?
5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;5-[3-(4-ethylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]isoindole-1,3-dione has a molecular weight of 2732.19 g/mol, XLogP of 30.35, 39 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;5-[3-(4-ethylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 158354231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).