[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;2-[[3-[4-[4-[5-[2-[2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-2-hydroxypropyl]-methylcarbamoyl]-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid;2-(methylcarbamoyl)-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid

C176H120F12N12O36 — CID 158520231

IUPAC[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;2-[[3-[4-[4-[5-[2-[2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-2-hydroxypropyl]-methylcarbamoyl]-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid;2-(methylcarbamoyl)-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid
SMILESC=C(C)C(=O)Oc1ccc(-c2cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(CC(O)CN(C)C(=O)c8ccc(Oc9ccc%10c(c9)C(=O)N(C)C%10=O)cc8C(=O)O)cc7)cc5)C6=O)C(F)(F)F)cc4C3=O)c2)cc1.C=C(C)C(=O)Oc1ccc(-c2cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(CC8CO8)cc7)cc5)C6=O)C(F)(F)F)cc4C3=O)c2)cc1.CNC(=O)c1ccc(Oc2ccc3c(c2)C(=O)N(C)C3=O)cc1C(=O)O
InChIInChI=1S/C88H60F6N6O18.C70H46F6N4O12.C18H14N2O6/c1-43(2)84(115)118-57-20-10-45(11-21-57)46-33-52(99-78(108)63-28-14-49(37-68(63)81(99)111)85(3,87(89,90)91)47-12-26-60-66(35-47)75(105)96(6)73(60)103)39-53(34-46)100-79(109)64-29-15-50(38-69(64)82(100)112)86(4,88(92,93)94)48-13-27-62-67(36-48)80(110)98(77(62)107)51-16-22-56(23-17-51)116-55-18-8-44(9-19-55)32-54(101)42-95(5)72(102)65-31-25-59(41-71(65)83(113)114)117-58-24-30-61-70(40-58)76(106)97(7)74(61)104;1-35(2)66(89)92-48-18-8-37(9-19-48)38-27-44(79-61(84)52-24-12-41(31-56(52)64(79)87)67(3,69(71,72)73)39-10-22-50-54(29-39)59(82)77(5)58(50)81)33-45(28-38)80-62(85)53-25-13-42(32-57(53)65(80)88)68(4,70(74,75)76)40-11-23-51-55(30-40)63(86)78(60(51)83)43-14-20-47(21-15-43)91-46-16-6-36(7-17-46)26-49-34-90-49;1-19-15(21)11-5-3-10(8-14(11)18(24)25)26-9-4-6-12-13(7-9)17(23)20(2)16(12)22/h8-31,33-41,54,101H,1,32,42H2,2-7H3,(H,113,114);6-25,27-33,49H,1,26,34H2,2-5H3;3-8H,1-2H3,(H,19,21)(H,24,25)
InChIKeyHMCYOQBKBWBEBP-UHFFFAOYSA-N
MW3206.92 g/mol
LogP29.08
Rot. Bonds38

About [4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;2-[[3-[4-[4-[5-[2-[2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-2-hydroxypropyl]-methylcarbamoyl]-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid;2-(methylcarbamoyl)-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid

[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;2-[[3-[4-[4-[5-[2-[2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-2-hydroxypropyl]-methylcarbamoyl]-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid;2-(methylcarbamoyl)-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid (PubChem CID 158520231) has the molecular formula C176H120F12N12O36 and a molecular weight of 3206.92 g/mol. Its IUPAC name is [4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;2-[[3-[4-[4-[5-[2-[2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-2-hydroxypropyl]-methylcarbamoyl]-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid;2-(methylcarbamoyl)-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid.

Molecular Properties

Compound Name[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;2-[[3-[4-[4-[5-[2-[2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-2-hydroxypropyl]-methylcarbamoyl]-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid;2-(methylcarbamoyl)-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid
PubChem CID158520231
Molecular FormulaC176H120F12N12O36
Molecular Weight3206.92 g/mol
Exact Mass3204.77
IUPAC Name[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;2-[[3-[4-[4-[5-[2-[2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-2-hydroxypropyl]-methylcarbamoyl]-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid;2-(methylcarbamoyl)-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid
SMILESC=C(C)C(=O)Oc1ccc(-c2cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(CC(O)CN(C)C(=O)c8ccc(Oc9ccc%10c(c9)C(=O)N(C)C%10=O)cc8C(=O)O)cc7)cc5)C6=O)C(F)(F)F)cc4C3=O)c2)cc1.C=C(C)C(=O)Oc1ccc(-c2cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(CC8CO8)cc7)cc5)C6=O)C(F)(F)F)cc4C3=O)c2)cc1.CNC(=O)c1ccc(Oc2ccc3c(c2)C(=O)N(C)C3=O)cc1C(=O)O
InChIInChI=1S/C88H60F6N6O18.C70H46F6N4O12.C18H14N2O6/c1-43(2)84(115)118-57-20-10-45(11-21-57)46-33-52(99-78(108)63-28-14-49(37-68(63)81(99)111)85(3,87(89,90)91)47-12-26-60-66(35-47)75(105)96(6)73(60)103)39-53(34-46)100-79(109)64-29-15-50(38-69(64)82(100)112)86(4,88(92,93)94)48-13-27-62-67(36-48)80(110)98(77(62)107)51-16-22-56(23-17-51)116-55-18-8-44(9-19-55)32-54(101)42-95(5)72(102)65-31-25-59(41-71(65)83(113)114)117-58-24-30-61-70(40-58)76(106)97(7)74(61)104;1-35(2)66(89)92-48-18-8-37(9-19-48)38-27-44(79-61(84)52-24-12-41(31-56(52)64(79)87)67(3,69(71,72)73)39-10-22-50-54(29-39)59(82)77(5)58(50)81)33-45(28-38)80-62(85)53-25-13-42(32-57(53)65(80)88)68(4,70(74,75)76)40-11-23-51-55(30-40)63(86)78(60(51)83)43-14-20-47(21-15-43)91-46-16-6-36(7-17-46)26-49-34-90-49;1-19-15(21)11-5-3-10(8-14(11)18(24)25)26-9-4-6-12-13(7-9)17(23)20(2)16(12)22/h8-31,33-41,54,101H,1,32,42H2,2-7H3,(H,113,114);6-25,27-33,49H,1,26,34H2,2-5H3;3-8H,1-2H3,(H,19,21)(H,24,25)
InChIKeyHMCYOQBKBWBEBP-UHFFFAOYSA-N
XLogP29.08
TPSA620.09 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds38
Heavy Atoms236
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003206.92
LogP ≤ 529.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;2-[[3-[4-[4-[5-[2-[2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-2-hydroxypropyl]-methylcarbamoyl]-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid;2-(methylcarbamoyl)-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;2-[[3-[4-[4-[5-[2-[2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-2-hydroxypropyl]-methylcarbamoyl]-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid;2-(methylcarbamoyl)-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid?
The IUPAC name of [4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;2-[[3-[4-[4-[5-[2-[2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-2-hydroxypropyl]-methylcarbamoyl]-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid;2-(methylcarbamoyl)-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid (CID 158520231) is [4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;2-[[3-[4-[4-[5-[2-[2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-2-hydroxypropyl]-methylcarbamoyl]-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid;2-(methylcarbamoyl)-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid.
What is the SMILES notation for [4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;2-[[3-[4-[4-[5-[2-[2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-2-hydroxypropyl]-methylcarbamoyl]-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid;2-(methylcarbamoyl)-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid?
The canonical SMILES for [4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;2-[[3-[4-[4-[5-[2-[2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-2-hydroxypropyl]-methylcarbamoyl]-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid;2-(methylcarbamoyl)-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid is C=C(C)C(=O)Oc1ccc(-c2cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(CC(O)CN(C)C(=O)c8ccc(Oc9ccc%10c(c9)C(=O)N(C)C%10=O)cc8C(=O)O)cc7)cc5)C6=O)C(F)(F)F)cc4C3=O)c2)cc1.C=C(C)C(=O)Oc1ccc(-c2cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(CC8CO8)cc7)cc5)C6=O)C(F)(F)F)cc4C3=O)c2)cc1.CNC(=O)c1ccc(Oc2ccc3c(c2)C(=O)N(C)C3=O)cc1C(=O)O.
What is the InChIKey of [4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;2-[[3-[4-[4-[5-[2-[2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-2-hydroxypropyl]-methylcarbamoyl]-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid;2-(methylcarbamoyl)-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid?
The InChIKey is HMCYOQBKBWBEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H60F6N6O18.C70H46F6N4O12.C18H14N2O6/c1-43(2)84(115)118-57-20-10-45(11-21-57)46-33-52(99-78(108)63-28-14-49(37-68(63)81(99)111)85(3,87(89,90)91)47-12-26-60-66(35-47)75(105)96(6)73(60)103)39-53(34-46)100-79(109)64-29-15-50(38-69(64)82(100)112)86(4,88(92,93)94)48-13-27-62-67(36-48)80(110)98(77(62)107)51-16-22-56(23-17-51)116-55-18-8-44(9-19-55)32-54(101)42-95(5)72(102)65-31-25-59(41-71(65)83(113)114)117-58-24-30-61-70(40-58)76(106)97(7)74(61)104;1-35(2)66(89)92-48-18-8-37(9-19-48)38-27-44(79-61(84)52-24-12-41(31-56(52)64(79)87)67(3,69(71,72)73)39-10-22-50-54(29-39)59(82)77(5)58(50)81)33-45(28-38)80-62(85)53-25-13-42(32-57(53)65(80)88)68(4,70(74,75)76)40-11-23-51-55(30-40)63(86)78(60(51)83)43-14-20-47(21-15-43)91-46-16-6-36(7-17-46)26-49-34-90-49;1-19-15(21)11-5-3-10(8-14(11)18(24)25)26-9-4-6-12-13(7-9)17(23)20(2)16(12)22/h8-31,33-41,54,101H,1,32,42H2,2-7H3,(H,113,114);6-25,27-33,49H,1,26,34H2,2-5H3;3-8H,1-2H3,(H,19,21)(H,24,25).
What are the key properties of [4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;2-[[3-[4-[4-[5-[2-[2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-2-hydroxypropyl]-methylcarbamoyl]-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid;2-(methylcarbamoyl)-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid?
[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;2-[[3-[4-[4-[5-[2-[2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-2-hydroxypropyl]-methylcarbamoyl]-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid;2-(methylcarbamoyl)-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid has a molecular weight of 3206.92 g/mol, XLogP of 29.08, 38 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;2-[[3-[4-[4-[5-[2-[2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-2-hydroxypropyl]-methylcarbamoyl]-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid;2-(methylcarbamoyl)-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxybenzoic acid is sourced from PubChem (CID 158520231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).