sodium;2-bromoethoxy-tert-butyl-dimethylsilane;5-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)-2,4-dimethylpyrrole-3-carboxamide;2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2-oxoacetic acid;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;ethyl 2-bromo-2,2-difluoroacetate;ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-dimethylpyrrole-3-carboxylate;ethyl 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2,2-difluoroacetate;ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate;methane;hydroxide

C134H208Br2F8N11NaO24Si5 — CID 158792366

IUPACsodium;2-bromoethoxy-tert-butyl-dimethylsilane;5-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)-2,4-dimethylpyrrole-3-carboxamide;2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2-oxoacetic acid;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;ethyl 2-bromo-2,2-difluoroacetate;ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-dimethylpyrrole-3-carboxylate;ethyl 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2,2-difluoroacetate;ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate;methane;hydroxide
SMILESC.C.CC(C)(C)[Si](C)(C)OCCBr.CCOC(=O)C(F)(F)Br.CCOC(=O)C(F)(F)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1CCO[Si](C)(C)C(C)(C)C.CCOC(=O)c1c(C)c[nH]c1C.CCOC(=O)c1c(C)cn(CCO[Si](C)(C)C(C)(C)C)c1C.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)C)n(CCO)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)O)n(CCO[Si](C)(C)C(C)(C)C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)cn(CCO[Si](C)(C)C(C)(C)C)c2C)ccc1F.[Na+].[OH-]
InChIInChI=1S/C26H37F3N2O4Si.C24H33FN2O5Si.C22H28FN3O4.C22H33FN2O2Si.C17H31NO3Si.C9H13NO2.C8H19BrOSi.C4H5BrF2O2.2CH4.Na.H2O/c1-10-34-24(33)26(28,29)22-17(3)21(23(32)30-19-11-12-20(27)16(2)15-19)18(4)31(22)13-14-35-36(8,9)25(5,6)7;1-14-13-17(9-10-18(14)25)26-22(29)19-15(2)20(21(28)23(30)31)27(16(19)3)11-12-32-33(7,8)24(4,5)6;1-12-11-15(7-8-16(12)23)24-20(29)17-13(2)18(26(9-10-27)14(17)3)19(28)21(30)25-22(4,5)6;1-15-13-18(9-10-19(15)23)24-21(26)20-16(2)14-25(17(20)3)11-12-27-28(7,8)22(4,5)6;1-9-20-16(19)15-13(2)12-18(14(15)3)10-11-21-22(7,8)17(4,5)6;1-4-12-9(11)8-6(2)5-10-7(8)3;1-8(2,3)11(4,5)10-7-6-9;1-2-9-3(8)4(5,6)7;;;;/h11-12,15H,10,13-14H2,1-9H3,(H,30,32);9-10,13H,11-12H2,1-8H3,(H,26,29)(H,30,31);7-8,11,27H,9-10H2,1-6H3,(H,24,29)(H,25,30);9-10,13-14H,11-12H2,1-8H3,(H,24,26);12H,9-11H2,1-8H3;5,10H,4H2,1-3H3;6-7H2,1-5H3;2H2,1H3;2*1H4;;1H2/q;;;;;;;;;;+1;/p-1
InChIKeyISKZQBXIEWPJBJ-UHFFFAOYSA-M
MW2832.40 g/mol
LogP29.45
Rot. Bonds42

About sodium;2-bromoethoxy-tert-butyl-dimethylsilane;5-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)-2,4-dimethylpyrrole-3-carboxamide;2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2-oxoacetic acid;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;ethyl 2-bromo-2,2-difluoroacetate;ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-dimethylpyrrole-3-carboxylate;ethyl 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2,2-difluoroacetate;ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate;methane;hydroxide

sodium;2-bromoethoxy-tert-butyl-dimethylsilane;5-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)-2,4-dimethylpyrrole-3-carboxamide;2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2-oxoacetic acid;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;ethyl 2-bromo-2,2-difluoroacetate;ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-dimethylpyrrole-3-carboxylate;ethyl 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2,2-difluoroacetate;ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate;methane;hydroxide (PubChem CID 158792366) has the molecular formula C134H208Br2F8N11NaO24Si5 and a molecular weight of 2832.40 g/mol. Its IUPAC name is sodium;2-bromoethoxy-tert-butyl-dimethylsilane;5-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)-2,4-dimethylpyrrole-3-carboxamide;2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2-oxoacetic acid;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;ethyl 2-bromo-2,2-difluoroacetate;ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-dimethylpyrrole-3-carboxylate;ethyl 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2,2-difluoroacetate;ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate;methane;hydroxide.

Molecular Properties

Compound Namesodium;2-bromoethoxy-tert-butyl-dimethylsilane;5-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)-2,4-dimethylpyrrole-3-carboxamide;2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2-oxoacetic acid;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;ethyl 2-bromo-2,2-difluoroacetate;ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-dimethylpyrrole-3-carboxylate;ethyl 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2,2-difluoroacetate;ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate;methane;hydroxide
PubChem CID158792366
Molecular FormulaC134H208Br2F8N11NaO24Si5
Molecular Weight2832.40 g/mol
Exact Mass2828.24
IUPAC Namesodium;2-bromoethoxy-tert-butyl-dimethylsilane;5-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)-2,4-dimethylpyrrole-3-carboxamide;2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2-oxoacetic acid;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;ethyl 2-bromo-2,2-difluoroacetate;ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-dimethylpyrrole-3-carboxylate;ethyl 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2,2-difluoroacetate;ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate;methane;hydroxide
SMILESC.C.CC(C)(C)[Si](C)(C)OCCBr.CCOC(=O)C(F)(F)Br.CCOC(=O)C(F)(F)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1CCO[Si](C)(C)C(C)(C)C.CCOC(=O)c1c(C)c[nH]c1C.CCOC(=O)c1c(C)cn(CCO[Si](C)(C)C(C)(C)C)c1C.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)C)n(CCO)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)O)n(CCO[Si](C)(C)C(C)(C)C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)cn(CCO[Si](C)(C)C(C)(C)C)c2C)ccc1F.[Na+].[OH-]
InChIInChI=1S/C26H37F3N2O4Si.C24H33FN2O5Si.C22H28FN3O4.C22H33FN2O2Si.C17H31NO3Si.C9H13NO2.C8H19BrOSi.C4H5BrF2O2.2CH4.Na.H2O/c1-10-34-24(33)26(28,29)22-17(3)21(23(32)30-19-11-12-20(27)16(2)15-19)18(4)31(22)13-14-35-36(8,9)25(5,6)7;1-14-13-17(9-10-18(14)25)26-22(29)19-15(2)20(21(28)23(30)31)27(16(19)3)11-12-32-33(7,8)24(4,5)6;1-12-11-15(7-8-16(12)23)24-20(29)17-13(2)18(26(9-10-27)14(17)3)19(28)21(30)25-22(4,5)6;1-15-13-18(9-10-19(15)23)24-21(26)20-16(2)14-25(17(20)3)11-12-27-28(7,8)22(4,5)6;1-9-20-16(19)15-13(2)12-18(14(15)3)10-11-21-22(7,8)17(4,5)6;1-4-12-9(11)8-6(2)5-10-7(8)3;1-8(2,3)11(4,5)10-7-6-9;1-2-9-3(8)4(5,6)7;;;;/h11-12,15H,10,13-14H2,1-9H3,(H,30,32);9-10,13H,11-12H2,1-8H3,(H,26,29)(H,30,31);7-8,11,27H,9-10H2,1-6H3,(H,24,29)(H,25,30);9-10,13-14H,11-12H2,1-8H3,(H,24,26);12H,9-11H2,1-8H3;5,10H,4H2,1-3H3;6-7H2,1-5H3;2H2,1H3;2*1H4;;1H2/q;;;;;;;;;;+1;/p-1
InChIKeyISKZQBXIEWPJBJ-UHFFFAOYSA-M
XLogP29.45
TPSA458.96 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds42
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002832.40
LogP ≤ 529.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze sodium;2-bromoethoxy-tert-butyl-dimethylsilane;5-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)-2,4-dimethylpyrrole-3-carboxamide;2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2-oxoacetic acid;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;ethyl 2-bromo-2,2-difluoroacetate;ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-dimethylpyrrole-3-carboxylate;ethyl 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2,2-difluoroacetate;ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate;methane;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;2-bromoethoxy-tert-butyl-dimethylsilane;5-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)-2,4-dimethylpyrrole-3-carboxamide;2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2-oxoacetic acid;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;ethyl 2-bromo-2,2-difluoroacetate;ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-dimethylpyrrole-3-carboxylate;ethyl 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2,2-difluoroacetate;ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate;methane;hydroxide?
The IUPAC name of sodium;2-bromoethoxy-tert-butyl-dimethylsilane;5-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)-2,4-dimethylpyrrole-3-carboxamide;2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2-oxoacetic acid;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;ethyl 2-bromo-2,2-difluoroacetate;ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-dimethylpyrrole-3-carboxylate;ethyl 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2,2-difluoroacetate;ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate;methane;hydroxide (CID 158792366) is sodium;2-bromoethoxy-tert-butyl-dimethylsilane;5-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)-2,4-dimethylpyrrole-3-carboxamide;2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2-oxoacetic acid;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;ethyl 2-bromo-2,2-difluoroacetate;ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-dimethylpyrrole-3-carboxylate;ethyl 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2,2-difluoroacetate;ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate;methane;hydroxide.
What is the SMILES notation for sodium;2-bromoethoxy-tert-butyl-dimethylsilane;5-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)-2,4-dimethylpyrrole-3-carboxamide;2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2-oxoacetic acid;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;ethyl 2-bromo-2,2-difluoroacetate;ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-dimethylpyrrole-3-carboxylate;ethyl 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2,2-difluoroacetate;ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate;methane;hydroxide?
The canonical SMILES for sodium;2-bromoethoxy-tert-butyl-dimethylsilane;5-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)-2,4-dimethylpyrrole-3-carboxamide;2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2-oxoacetic acid;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;ethyl 2-bromo-2,2-difluoroacetate;ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-dimethylpyrrole-3-carboxylate;ethyl 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2,2-difluoroacetate;ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate;methane;hydroxide is C.C.CC(C)(C)[Si](C)(C)OCCBr.CCOC(=O)C(F)(F)Br.CCOC(=O)C(F)(F)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1CCO[Si](C)(C)C(C)(C)C.CCOC(=O)c1c(C)c[nH]c1C.CCOC(=O)c1c(C)cn(CCO[Si](C)(C)C(C)(C)C)c1C.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)C)n(CCO)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)O)n(CCO[Si](C)(C)C(C)(C)C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)cn(CCO[Si](C)(C)C(C)(C)C)c2C)ccc1F.[Na+].[OH-].
What is the InChIKey of sodium;2-bromoethoxy-tert-butyl-dimethylsilane;5-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)-2,4-dimethylpyrrole-3-carboxamide;2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2-oxoacetic acid;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;ethyl 2-bromo-2,2-difluoroacetate;ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-dimethylpyrrole-3-carboxylate;ethyl 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2,2-difluoroacetate;ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate;methane;hydroxide?
The InChIKey is ISKZQBXIEWPJBJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H37F3N2O4Si.C24H33FN2O5Si.C22H28FN3O4.C22H33FN2O2Si.C17H31NO3Si.C9H13NO2.C8H19BrOSi.C4H5BrF2O2.2CH4.Na.H2O/c1-10-34-24(33)26(28,29)22-17(3)21(23(32)30-19-11-12-20(27)16(2)15-19)18(4)31(22)13-14-35-36(8,9)25(5,6)7;1-14-13-17(9-10-18(14)25)26-22(29)19-15(2)20(21(28)23(30)31)27(16(19)3)11-12-32-33(7,8)24(4,5)6;1-12-11-15(7-8-16(12)23)24-20(29)17-13(2)18(26(9-10-27)14(17)3)19(28)21(30)25-22(4,5)6;1-15-13-18(9-10-19(15)23)24-21(26)20-16(2)14-25(17(20)3)11-12-27-28(7,8)22(4,5)6;1-9-20-16(19)15-13(2)12-18(14(15)3)10-11-21-22(7,8)17(4,5)6;1-4-12-9(11)8-6(2)5-10-7(8)3;1-8(2,3)11(4,5)10-7-6-9;1-2-9-3(8)4(5,6)7;;;;/h11-12,15H,10,13-14H2,1-9H3,(H,30,32);9-10,13H,11-12H2,1-8H3,(H,26,29)(H,30,31);7-8,11,27H,9-10H2,1-6H3,(H,24,29)(H,25,30);9-10,13-14H,11-12H2,1-8H3,(H,24,26);12H,9-11H2,1-8H3;5,10H,4H2,1-3H3;6-7H2,1-5H3;2H2,1H3;2*1H4;;1H2/q;;;;;;;;;;+1;/p-1.
What are the key properties of sodium;2-bromoethoxy-tert-butyl-dimethylsilane;5-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)-2,4-dimethylpyrrole-3-carboxamide;2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2-oxoacetic acid;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;ethyl 2-bromo-2,2-difluoroacetate;ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-dimethylpyrrole-3-carboxylate;ethyl 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2,2-difluoroacetate;ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate;methane;hydroxide?
sodium;2-bromoethoxy-tert-butyl-dimethylsilane;5-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)-2,4-dimethylpyrrole-3-carboxamide;2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2-oxoacetic acid;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;ethyl 2-bromo-2,2-difluoroacetate;ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-dimethylpyrrole-3-carboxylate;ethyl 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2,2-difluoroacetate;ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate;methane;hydroxide has a molecular weight of 2832.40 g/mol, XLogP of 29.45, 42 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-bromoethoxy-tert-butyl-dimethylsilane;5-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)-2,4-dimethylpyrrole-3-carboxamide;2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2-oxoacetic acid;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;ethyl 2-bromo-2,2-difluoroacetate;ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-dimethylpyrrole-3-carboxylate;ethyl 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-fluoro-3-methylphenyl)carbamoyl]-3,5-dimethylpyrrol-2-yl]-2,2-difluoroacetate;ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate;methane;hydroxide is sourced from PubChem (CID 158792366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).