lithium;2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetic acid;tert-butyl N-[(4-chloro-2-pyridinyl)methyl]carbamate;tert-butyl N-[[4-[2-(2-hydroxyethyl)-5-(hydroxymethyl)-1-benzofuran-7-yl]-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[2-(2-hydroxyethyl)-7-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-(2-hydroxy-4-methylphenyl)acetate;2-[5-(hydroxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-2-yl]ethanol;methane;2,2,2-trifluoroacetaldehyde;hydroxide

C151H178BClF3LiN10O34 — CID 161432241

IUPAClithium;2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetic acid;tert-butyl N-[(4-chloro-2-pyridinyl)methyl]carbamate;tert-butyl N-[[4-[2-(2-hydroxyethyl)-5-(hydroxymethyl)-1-benzofuran-7-yl]-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[2-(2-hydroxyethyl)-7-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-(2-hydroxy-4-methylphenyl)acetate;2-[5-(hydroxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-2-yl]ethanol;methane;2,2,2-trifluoroacetaldehyde;hydroxide
SMILESC.CC(C)(C)OC(=O)NCc1cc(-c2cc(CO)cc3cc(CCO)oc23)ccn1.CC(C)(C)OC(=O)NCc1cc(Cl)ccn1.CC1(C)OB(c2cc(CO)cc3cc(CCO)oc23)OC1(C)C.CCOC(=O)Cc1ccc(C)cc1O.CCOC(=O)Cc1ccc(C)cc1OCc1cc(-c2ccnc(CN)c2)c2oc(CCO)cc2c1.CCOC(=O)Cc1ccc(C)cc1OCc1cc(-c2ccnc(CNC(=O)OC(C)(C)C)c2)c2oc(CCO)cc2c1.Cc1ccc(CC(=O)O)c(OCc2cc(-c3ccnc(CN)c3)c3oc(CCO)cc3c2)c1.O=CC(F)(F)F.[Li+].[OH-]
InChIInChI=1S/C33H38N2O7.C28H30N2O5.C26H26N2O5.C22H26N2O5.C17H23BO5.C11H15ClN2O2.C11H14O3.C2HF3O.CH4.Li.H2O/c1-6-39-30(37)18-24-8-7-21(2)13-29(24)40-20-22-14-25-17-27(10-12-36)41-31(25)28(15-22)23-9-11-34-26(16-23)19-35-32(38)42-33(3,4)5;1-3-33-27(32)15-21-5-4-18(2)10-26(21)34-17-19-11-22-14-24(7-9-31)35-28(22)25(12-19)20-6-8-30-23(13-20)16-29;1-16-2-3-19(13-25(30)31)24(8-16)32-15-17-9-20-12-22(5-7-29)33-26(20)23(10-17)18-4-6-28-21(11-18)14-27;1-22(2,3)29-21(27)24-12-17-10-15(4-6-23-17)19-9-14(13-26)8-16-11-18(5-7-25)28-20(16)19;1-16(2)17(3,4)23-18(22-16)14-8-11(10-20)7-12-9-13(5-6-19)21-15(12)14;1-11(2,3)16-10(15)14-7-9-6-8(12)4-5-13-9;1-3-14-11(13)7-9-5-4-8(2)6-10(9)12;3-2(4,5)1-6;;;/h7-9,11,13-17,36H,6,10,12,18-20H2,1-5H3,(H,35,38);4-6,8,10-14,31H,3,7,9,15-17,29H2,1-2H3;2-4,6,8-12,29H,5,7,13-15,27H2,1H3,(H,30,31);4,6,8-11,25-26H,5,7,12-13H2,1-3H3,(H,24,27);7-9,19-20H,5-6,10H2,1-4H3;4-6H,7H2,1-3H3,(H,14,15);4-6,12H,3,7H2,1-2H3;1H;1H4;;1H2/q;;;;;;;;;+1;/p-1
InChIKeyVYEFZJLAXBBULK-UHFFFAOYSA-M
MW2787.32 g/mol
LogP22.61
Rot. Bonds45

About lithium;2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetic acid;tert-butyl N-[(4-chloro-2-pyridinyl)methyl]carbamate;tert-butyl N-[[4-[2-(2-hydroxyethyl)-5-(hydroxymethyl)-1-benzofuran-7-yl]-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[2-(2-hydroxyethyl)-7-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-(2-hydroxy-4-methylphenyl)acetate;2-[5-(hydroxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-2-yl]ethanol;methane;2,2,2-trifluoroacetaldehyde;hydroxide

lithium;2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetic acid;tert-butyl N-[(4-chloro-2-pyridinyl)methyl]carbamate;tert-butyl N-[[4-[2-(2-hydroxyethyl)-5-(hydroxymethyl)-1-benzofuran-7-yl]-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[2-(2-hydroxyethyl)-7-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-(2-hydroxy-4-methylphenyl)acetate;2-[5-(hydroxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-2-yl]ethanol;methane;2,2,2-trifluoroacetaldehyde;hydroxide (PubChem CID 161432241) has the molecular formula C151H178BClF3LiN10O34 and a molecular weight of 2787.32 g/mol. Its IUPAC name is lithium;2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetic acid;tert-butyl N-[(4-chloro-2-pyridinyl)methyl]carbamate;tert-butyl N-[[4-[2-(2-hydroxyethyl)-5-(hydroxymethyl)-1-benzofuran-7-yl]-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[2-(2-hydroxyethyl)-7-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-(2-hydroxy-4-methylphenyl)acetate;2-[5-(hydroxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-2-yl]ethanol;methane;2,2,2-trifluoroacetaldehyde;hydroxide.

Molecular Properties

Compound Namelithium;2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetic acid;tert-butyl N-[(4-chloro-2-pyridinyl)methyl]carbamate;tert-butyl N-[[4-[2-(2-hydroxyethyl)-5-(hydroxymethyl)-1-benzofuran-7-yl]-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[2-(2-hydroxyethyl)-7-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-(2-hydroxy-4-methylphenyl)acetate;2-[5-(hydroxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-2-yl]ethanol;methane;2,2,2-trifluoroacetaldehyde;hydroxide
PubChem CID161432241
Molecular FormulaC151H178BClF3LiN10O34
Molecular Weight2787.32 g/mol
Exact Mass2785.24
IUPAC Namelithium;2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetic acid;tert-butyl N-[(4-chloro-2-pyridinyl)methyl]carbamate;tert-butyl N-[[4-[2-(2-hydroxyethyl)-5-(hydroxymethyl)-1-benzofuran-7-yl]-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[2-(2-hydroxyethyl)-7-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-(2-hydroxy-4-methylphenyl)acetate;2-[5-(hydroxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-2-yl]ethanol;methane;2,2,2-trifluoroacetaldehyde;hydroxide
SMILESC.CC(C)(C)OC(=O)NCc1cc(-c2cc(CO)cc3cc(CCO)oc23)ccn1.CC(C)(C)OC(=O)NCc1cc(Cl)ccn1.CC1(C)OB(c2cc(CO)cc3cc(CCO)oc23)OC1(C)C.CCOC(=O)Cc1ccc(C)cc1O.CCOC(=O)Cc1ccc(C)cc1OCc1cc(-c2ccnc(CN)c2)c2oc(CCO)cc2c1.CCOC(=O)Cc1ccc(C)cc1OCc1cc(-c2ccnc(CNC(=O)OC(C)(C)C)c2)c2oc(CCO)cc2c1.Cc1ccc(CC(=O)O)c(OCc2cc(-c3ccnc(CN)c3)c3oc(CCO)cc3c2)c1.O=CC(F)(F)F.[Li+].[OH-]
InChIInChI=1S/C33H38N2O7.C28H30N2O5.C26H26N2O5.C22H26N2O5.C17H23BO5.C11H15ClN2O2.C11H14O3.C2HF3O.CH4.Li.H2O/c1-6-39-30(37)18-24-8-7-21(2)13-29(24)40-20-22-14-25-17-27(10-12-36)41-31(25)28(15-22)23-9-11-34-26(16-23)19-35-32(38)42-33(3,4)5;1-3-33-27(32)15-21-5-4-18(2)10-26(21)34-17-19-11-22-14-24(7-9-31)35-28(22)25(12-19)20-6-8-30-23(13-20)16-29;1-16-2-3-19(13-25(30)31)24(8-16)32-15-17-9-20-12-22(5-7-29)33-26(20)23(10-17)18-4-6-28-21(11-18)14-27;1-22(2,3)29-21(27)24-12-17-10-15(4-6-23-17)19-9-14(13-26)8-16-11-18(5-7-25)28-20(16)19;1-16(2)17(3,4)23-18(22-16)14-8-11(10-20)7-12-9-13(5-6-19)21-15(12)14;1-11(2,3)16-10(15)14-7-9-6-8(12)4-5-13-9;1-3-14-11(13)7-9-5-4-8(2)6-10(9)12;3-2(4,5)1-6;;;/h7-9,11,13-17,36H,6,10,12,18-20H2,1-5H3,(H,35,38);4-6,8,10-14,31H,3,7,9,15-17,29H2,1-2H3;2-4,6,8-12,29H,5,7,13-15,27H2,1H3,(H,30,31);4,6,8-11,25-26H,5,7,12-13H2,1-3H3,(H,24,27);7-9,19-20H,5-6,10H2,1-4H3;4-6H,7H2,1-3H3,(H,14,15);4-6,12H,3,7H2,1-2H3;1H;1H4;;1H2/q;;;;;;;;;+1;/p-1
InChIKeyVYEFZJLAXBBULK-UHFFFAOYSA-M
XLogP22.61
TPSA668.44 Ų
H-Bond Donors14
H-Bond Acceptors40
Rotatable Bonds45
Heavy Atoms201
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002787.32
LogP ≤ 522.61
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze lithium;2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetic acid;tert-butyl N-[(4-chloro-2-pyridinyl)methyl]carbamate;tert-butyl N-[[4-[2-(2-hydroxyethyl)-5-(hydroxymethyl)-1-benzofuran-7-yl]-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[2-(2-hydroxyethyl)-7-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-(2-hydroxy-4-methylphenyl)acetate;2-[5-(hydroxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-2-yl]ethanol;methane;2,2,2-trifluoroacetaldehyde;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetic acid;tert-butyl N-[(4-chloro-2-pyridinyl)methyl]carbamate;tert-butyl N-[[4-[2-(2-hydroxyethyl)-5-(hydroxymethyl)-1-benzofuran-7-yl]-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[2-(2-hydroxyethyl)-7-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-(2-hydroxy-4-methylphenyl)acetate;2-[5-(hydroxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-2-yl]ethanol;methane;2,2,2-trifluoroacetaldehyde;hydroxide?
The IUPAC name of lithium;2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetic acid;tert-butyl N-[(4-chloro-2-pyridinyl)methyl]carbamate;tert-butyl N-[[4-[2-(2-hydroxyethyl)-5-(hydroxymethyl)-1-benzofuran-7-yl]-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[2-(2-hydroxyethyl)-7-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-(2-hydroxy-4-methylphenyl)acetate;2-[5-(hydroxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-2-yl]ethanol;methane;2,2,2-trifluoroacetaldehyde;hydroxide (CID 161432241) is lithium;2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetic acid;tert-butyl N-[(4-chloro-2-pyridinyl)methyl]carbamate;tert-butyl N-[[4-[2-(2-hydroxyethyl)-5-(hydroxymethyl)-1-benzofuran-7-yl]-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[2-(2-hydroxyethyl)-7-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-(2-hydroxy-4-methylphenyl)acetate;2-[5-(hydroxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-2-yl]ethanol;methane;2,2,2-trifluoroacetaldehyde;hydroxide.
What is the SMILES notation for lithium;2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetic acid;tert-butyl N-[(4-chloro-2-pyridinyl)methyl]carbamate;tert-butyl N-[[4-[2-(2-hydroxyethyl)-5-(hydroxymethyl)-1-benzofuran-7-yl]-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[2-(2-hydroxyethyl)-7-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-(2-hydroxy-4-methylphenyl)acetate;2-[5-(hydroxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-2-yl]ethanol;methane;2,2,2-trifluoroacetaldehyde;hydroxide?
The canonical SMILES for lithium;2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetic acid;tert-butyl N-[(4-chloro-2-pyridinyl)methyl]carbamate;tert-butyl N-[[4-[2-(2-hydroxyethyl)-5-(hydroxymethyl)-1-benzofuran-7-yl]-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[2-(2-hydroxyethyl)-7-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-(2-hydroxy-4-methylphenyl)acetate;2-[5-(hydroxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-2-yl]ethanol;methane;2,2,2-trifluoroacetaldehyde;hydroxide is C.CC(C)(C)OC(=O)NCc1cc(-c2cc(CO)cc3cc(CCO)oc23)ccn1.CC(C)(C)OC(=O)NCc1cc(Cl)ccn1.CC1(C)OB(c2cc(CO)cc3cc(CCO)oc23)OC1(C)C.CCOC(=O)Cc1ccc(C)cc1O.CCOC(=O)Cc1ccc(C)cc1OCc1cc(-c2ccnc(CN)c2)c2oc(CCO)cc2c1.CCOC(=O)Cc1ccc(C)cc1OCc1cc(-c2ccnc(CNC(=O)OC(C)(C)C)c2)c2oc(CCO)cc2c1.Cc1ccc(CC(=O)O)c(OCc2cc(-c3ccnc(CN)c3)c3oc(CCO)cc3c2)c1.O=CC(F)(F)F.[Li+].[OH-].
What is the InChIKey of lithium;2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetic acid;tert-butyl N-[(4-chloro-2-pyridinyl)methyl]carbamate;tert-butyl N-[[4-[2-(2-hydroxyethyl)-5-(hydroxymethyl)-1-benzofuran-7-yl]-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[2-(2-hydroxyethyl)-7-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-(2-hydroxy-4-methylphenyl)acetate;2-[5-(hydroxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-2-yl]ethanol;methane;2,2,2-trifluoroacetaldehyde;hydroxide?
The InChIKey is VYEFZJLAXBBULK-UHFFFAOYSA-M. The full InChI is InChI=1S/C33H38N2O7.C28H30N2O5.C26H26N2O5.C22H26N2O5.C17H23BO5.C11H15ClN2O2.C11H14O3.C2HF3O.CH4.Li.H2O/c1-6-39-30(37)18-24-8-7-21(2)13-29(24)40-20-22-14-25-17-27(10-12-36)41-31(25)28(15-22)23-9-11-34-26(16-23)19-35-32(38)42-33(3,4)5;1-3-33-27(32)15-21-5-4-18(2)10-26(21)34-17-19-11-22-14-24(7-9-31)35-28(22)25(12-19)20-6-8-30-23(13-20)16-29;1-16-2-3-19(13-25(30)31)24(8-16)32-15-17-9-20-12-22(5-7-29)33-26(20)23(10-17)18-4-6-28-21(11-18)14-27;1-22(2,3)29-21(27)24-12-17-10-15(4-6-23-17)19-9-14(13-26)8-16-11-18(5-7-25)28-20(16)19;1-16(2)17(3,4)23-18(22-16)14-8-11(10-20)7-12-9-13(5-6-19)21-15(12)14;1-11(2,3)16-10(15)14-7-9-6-8(12)4-5-13-9;1-3-14-11(13)7-9-5-4-8(2)6-10(9)12;3-2(4,5)1-6;;;/h7-9,11,13-17,36H,6,10,12,18-20H2,1-5H3,(H,35,38);4-6,8,10-14,31H,3,7,9,15-17,29H2,1-2H3;2-4,6,8-12,29H,5,7,13-15,27H2,1H3,(H,30,31);4,6,8-11,25-26H,5,7,12-13H2,1-3H3,(H,24,27);7-9,19-20H,5-6,10H2,1-4H3;4-6H,7H2,1-3H3,(H,14,15);4-6,12H,3,7H2,1-2H3;1H;1H4;;1H2/q;;;;;;;;;+1;/p-1.
What are the key properties of lithium;2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetic acid;tert-butyl N-[(4-chloro-2-pyridinyl)methyl]carbamate;tert-butyl N-[[4-[2-(2-hydroxyethyl)-5-(hydroxymethyl)-1-benzofuran-7-yl]-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[2-(2-hydroxyethyl)-7-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-(2-hydroxy-4-methylphenyl)acetate;2-[5-(hydroxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-2-yl]ethanol;methane;2,2,2-trifluoroacetaldehyde;hydroxide?
lithium;2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetic acid;tert-butyl N-[(4-chloro-2-pyridinyl)methyl]carbamate;tert-butyl N-[[4-[2-(2-hydroxyethyl)-5-(hydroxymethyl)-1-benzofuran-7-yl]-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[2-(2-hydroxyethyl)-7-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-(2-hydroxy-4-methylphenyl)acetate;2-[5-(hydroxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-2-yl]ethanol;methane;2,2,2-trifluoroacetaldehyde;hydroxide has a molecular weight of 2787.32 g/mol, XLogP of 22.61, 45 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetic acid;tert-butyl N-[(4-chloro-2-pyridinyl)methyl]carbamate;tert-butyl N-[[4-[2-(2-hydroxyethyl)-5-(hydroxymethyl)-1-benzofuran-7-yl]-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[2-(2-hydroxyethyl)-7-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-(2-hydroxy-4-methylphenyl)acetate;2-[5-(hydroxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-2-yl]ethanol;methane;2,2,2-trifluoroacetaldehyde;hydroxide is sourced from PubChem (CID 161432241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).