butane;tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]acetamide;3-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methanamine;methane;methyl 2-[1-[2-[2-[[deuterio(tritio)boranyl]methylsulfanyloxy]ethoxy]ethyl]indol-3-yl]-2-oxoacetate;20-methyl-17,23-dioxa-4,14,20,26,33-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;2-[2-[3-[4-[1-[2-(2-methylsulfonyloxyethoxy)ethyl]indazol-3-yl]-2,5-dioxopyrrol-3-yl]indol-1-yl]ethoxy]ethyl methanesulfonate;oxolane;propane

C158H210BCl2N23O36S3Si — CID 161462667

IUPACbutane;tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]acetamide;3-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methanamine;methane;methyl 2-[1-[2-[2-[[deuterio(tritio)boranyl]methylsulfanyloxy]ethoxy]ethyl]indol-3-yl]-2-oxoacetate;20-methyl-17,23-dioxa-4,14,20,26,33-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;2-[2-[3-[4-[1-[2-(2-methylsulfonyloxyethoxy)ethyl]indazol-3-yl]-2,5-dioxopyrrol-3-yl]indol-1-yl]ethoxy]ethyl methanesulfonate;oxolane;propane
SMILESC.C1CCOC1.CC(C)(C)[Si](C)(C)OCCOCCCl.CCC.CCCC.CN.CN1CCOCCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2nn(c3ccccc23)CCOCC1.CS(=O)(=O)OCCOCCn1cc(C2=C(c3nn(CCOCCOS(C)(=O)=O)c4ccccc34)C(=O)NC2=O)c2ccccc21.NC(=O)Cc1[nH]nc2ccccc12.NC(=O)Cc1nn(CCOCCO)c2ccccc12.O=C(O)Cc1[nH]nc2ccccc12.O=C1NC(=O)C(c2nn(CCOCCO)c3ccccc23)=C1c1cn(CCOCCO)c2ccccc12.OCCOCCCl.[2H]B([3H])CSOCCOCCn1cc(C(=O)C(=O)OC)c2ccccc21
InChIInChI=1S/C29H32N4O10S2.C28H29N5O4.C27H28N4O6.C16H20BNO5S.C13H17N3O3.C10H23ClO2Si.C9H9N3O.C9H8N2O2.C4H9ClO2.C4H8O.C4H10.C3H8.CH5N.CH4/c1-44(36,37)42-17-15-40-13-11-32-19-22(20-7-3-5-9-23(20)32)25-26(29(35)30-28(25)34)27-21-8-4-6-10-24(21)33(31-27)12-14-41-16-18-43-45(2,38)39;1-31-10-14-36-16-12-32-18-21(19-6-2-4-8-22(19)32)24-25(28(35)29-27(24)34)26-20-7-3-5-9-23(20)33(30-26)13-17-37-15-11-31;32-11-15-36-13-9-30-17-20(18-5-1-3-7-21(18)30)23-24(27(35)28-26(23)34)25-19-6-2-4-8-22(19)31(29-25)10-14-37-16-12-33;1-21-16(20)15(19)13-10-18(14-5-3-2-4-12(13)14)6-7-22-8-9-23-24-11-17;14-13(18)9-11-10-3-1-2-4-12(10)16(15-11)5-7-19-8-6-17;1-10(2,3)14(4,5)13-9-8-12-7-6-11;10-9(13)5-8-6-3-1-2-4-7(6)11-12-8;12-9(13)5-8-6-3-1-2-4-7(6)10-11-8;5-1-3-7-4-2-6;1-2-4-5-3-1;1-3-4-2;1-3-2;1-2;/h3-10,19H,11-18H2,1-2H3,(H,30,34,35);2-9,18H,10-17H2,1H3,(H,29,34,35);1-8,17,32-33H,9-16H2,(H,28,34,35);2-5,10H,6-9,11,17H2,1H3;1-4,17H,5-9H2,(H2,14,18);6-9H2,1-5H3;1-4H,5H2,(H2,10,13)(H,11,12);1-4H,5H2,(H,10,11)(H,12,13);6H,1-4H2;1-4H2;3-4H2,1-2H3;3H2,1-2H3;2H2,1H3;1H4/i;;;17TD;;;;;;;;;;
InChIKeyWCADJOCOAVJBLC-IMQFBJOGSA-N
MW3216.56 g/mol
LogP16.51
Rot. Bonds61

About butane;tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]acetamide;3-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methanamine;methane;methyl 2-[1-[2-[2-[[deuterio(tritio)boranyl]methylsulfanyloxy]ethoxy]ethyl]indol-3-yl]-2-oxoacetate;20-methyl-17,23-dioxa-4,14,20,26,33-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;2-[2-[3-[4-[1-[2-(2-methylsulfonyloxyethoxy)ethyl]indazol-3-yl]-2,5-dioxopyrrol-3-yl]indol-1-yl]ethoxy]ethyl methanesulfonate;oxolane;propane

butane;tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]acetamide;3-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methanamine;methane;methyl 2-[1-[2-[2-[[deuterio(tritio)boranyl]methylsulfanyloxy]ethoxy]ethyl]indol-3-yl]-2-oxoacetate;20-methyl-17,23-dioxa-4,14,20,26,33-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;2-[2-[3-[4-[1-[2-(2-methylsulfonyloxyethoxy)ethyl]indazol-3-yl]-2,5-dioxopyrrol-3-yl]indol-1-yl]ethoxy]ethyl methanesulfonate;oxolane;propane (PubChem CID 161462667) has the molecular formula C158H210BCl2N23O36S3Si and a molecular weight of 3216.56 g/mol. Its IUPAC name is butane;tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]acetamide;3-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methanamine;methane;methyl 2-[1-[2-[2-[[deuterio(tritio)boranyl]methylsulfanyloxy]ethoxy]ethyl]indol-3-yl]-2-oxoacetate;20-methyl-17,23-dioxa-4,14,20,26,33-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;2-[2-[3-[4-[1-[2-(2-methylsulfonyloxyethoxy)ethyl]indazol-3-yl]-2,5-dioxopyrrol-3-yl]indol-1-yl]ethoxy]ethyl methanesulfonate;oxolane;propane.

Molecular Properties

Compound Namebutane;tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]acetamide;3-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methanamine;methane;methyl 2-[1-[2-[2-[[deuterio(tritio)boranyl]methylsulfanyloxy]ethoxy]ethyl]indol-3-yl]-2-oxoacetate;20-methyl-17,23-dioxa-4,14,20,26,33-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;2-[2-[3-[4-[1-[2-(2-methylsulfonyloxyethoxy)ethyl]indazol-3-yl]-2,5-dioxopyrrol-3-yl]indol-1-yl]ethoxy]ethyl methanesulfonate;oxolane;propane
PubChem CID161462667
Molecular FormulaC158H210BCl2N23O36S3Si
Molecular Weight3216.56 g/mol
Exact Mass3213.39
IUPAC Namebutane;tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]acetamide;3-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methanamine;methane;methyl 2-[1-[2-[2-[[deuterio(tritio)boranyl]methylsulfanyloxy]ethoxy]ethyl]indol-3-yl]-2-oxoacetate;20-methyl-17,23-dioxa-4,14,20,26,33-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;2-[2-[3-[4-[1-[2-(2-methylsulfonyloxyethoxy)ethyl]indazol-3-yl]-2,5-dioxopyrrol-3-yl]indol-1-yl]ethoxy]ethyl methanesulfonate;oxolane;propane
SMILESC.C1CCOC1.CC(C)(C)[Si](C)(C)OCCOCCCl.CCC.CCCC.CN.CN1CCOCCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2nn(c3ccccc23)CCOCC1.CS(=O)(=O)OCCOCCn1cc(C2=C(c3nn(CCOCCOS(C)(=O)=O)c4ccccc34)C(=O)NC2=O)c2ccccc21.NC(=O)Cc1[nH]nc2ccccc12.NC(=O)Cc1nn(CCOCCO)c2ccccc12.O=C(O)Cc1[nH]nc2ccccc12.O=C1NC(=O)C(c2nn(CCOCCO)c3ccccc23)=C1c1cn(CCOCCO)c2ccccc12.OCCOCCCl.[2H]B([3H])CSOCCOCCn1cc(C(=O)C(=O)OC)c2ccccc21
InChIInChI=1S/C29H32N4O10S2.C28H29N5O4.C27H28N4O6.C16H20BNO5S.C13H17N3O3.C10H23ClO2Si.C9H9N3O.C9H8N2O2.C4H9ClO2.C4H8O.C4H10.C3H8.CH5N.CH4/c1-44(36,37)42-17-15-40-13-11-32-19-22(20-7-3-5-9-23(20)32)25-26(29(35)30-28(25)34)27-21-8-4-6-10-24(21)33(31-27)12-14-41-16-18-43-45(2,38)39;1-31-10-14-36-16-12-32-18-21(19-6-2-4-8-22(19)32)24-25(28(35)29-27(24)34)26-20-7-3-5-9-23(20)33(30-26)13-17-37-15-11-31;32-11-15-36-13-9-30-17-20(18-5-1-3-7-21(18)30)23-24(27(35)28-26(23)34)25-19-6-2-4-8-22(19)31(29-25)10-14-37-16-12-33;1-21-16(20)15(19)13-10-18(14-5-3-2-4-12(13)14)6-7-22-8-9-23-24-11-17;14-13(18)9-11-10-3-1-2-4-12(10)16(15-11)5-7-19-8-6-17;1-10(2,3)14(4,5)13-9-8-12-7-6-11;10-9(13)5-8-6-3-1-2-4-7(6)11-12-8;12-9(13)5-8-6-3-1-2-4-7(6)10-11-8;5-1-3-7-4-2-6;1-2-4-5-3-1;1-3-4-2;1-3-2;1-2;/h3-10,19H,11-18H2,1-2H3,(H,30,34,35);2-9,18H,10-17H2,1H3,(H,29,34,35);1-8,17,32-33H,9-16H2,(H,28,34,35);2-5,10H,6-9,11,17H2,1H3;1-4,17H,5-9H2,(H2,14,18);6-9H2,1-5H3;1-4H,5H2,(H2,10,13)(H,11,12);1-4H,5H2,(H,10,11)(H,12,13);6H,1-4H2;1-4H2;3-4H2,1-2H3;3H2,1-2H3;2H2,1H3;1H4/i;;;17TD;;;;;;;;;;
InChIKeyWCADJOCOAVJBLC-IMQFBJOGSA-N
XLogP16.51
TPSA770.63 Ų
H-Bond Donors13
H-Bond Acceptors52
Rotatable Bonds61
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003216.56
LogP ≤ 516.51
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze butane;tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]acetamide;3-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methanamine;methane;methyl 2-[1-[2-[2-[[deuterio(tritio)boranyl]methylsulfanyloxy]ethoxy]ethyl]indol-3-yl]-2-oxoacetate;20-methyl-17,23-dioxa-4,14,20,26,33-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;2-[2-[3-[4-[1-[2-(2-methylsulfonyloxyethoxy)ethyl]indazol-3-yl]-2,5-dioxopyrrol-3-yl]indol-1-yl]ethoxy]ethyl methanesulfonate;oxolane;propane with MolForge

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Related Compounds

azane;3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[1-(3-hydroxypropyl)indol-3-yl]-4-phenylpyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methyl 2-oxo-2-phenylacetate;hydrate
CID 158235468
3-Bromopropoxy-tert-butyl-dimethylsilane;2-[2-(2-chloroethoxy)ethoxy]ethanol;3-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]indol-3-yl]-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione;2-[1-[2-(2-hydroxyethoxy)ethoxymethyl]indol-3-yl]acetamide;methyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]-2-oxoacetate
CID 158326080
tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]acetamide;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methyl 2-oxo-2-[1-(2-propoxyethyl)indol-3-yl]acetate
CID 158415728

Frequently Asked Questions

What is the IUPAC name of butane;tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]acetamide;3-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methanamine;methane;methyl 2-[1-[2-[2-[[deuterio(tritio)boranyl]methylsulfanyloxy]ethoxy]ethyl]indol-3-yl]-2-oxoacetate;20-methyl-17,23-dioxa-4,14,20,26,33-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;2-[2-[3-[4-[1-[2-(2-methylsulfonyloxyethoxy)ethyl]indazol-3-yl]-2,5-dioxopyrrol-3-yl]indol-1-yl]ethoxy]ethyl methanesulfonate;oxolane;propane?
The IUPAC name of butane;tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]acetamide;3-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methanamine;methane;methyl 2-[1-[2-[2-[[deuterio(tritio)boranyl]methylsulfanyloxy]ethoxy]ethyl]indol-3-yl]-2-oxoacetate;20-methyl-17,23-dioxa-4,14,20,26,33-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;2-[2-[3-[4-[1-[2-(2-methylsulfonyloxyethoxy)ethyl]indazol-3-yl]-2,5-dioxopyrrol-3-yl]indol-1-yl]ethoxy]ethyl methanesulfonate;oxolane;propane (CID 161462667) is butane;tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]acetamide;3-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methanamine;methane;methyl 2-[1-[2-[2-[[deuterio(tritio)boranyl]methylsulfanyloxy]ethoxy]ethyl]indol-3-yl]-2-oxoacetate;20-methyl-17,23-dioxa-4,14,20,26,33-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;2-[2-[3-[4-[1-[2-(2-methylsulfonyloxyethoxy)ethyl]indazol-3-yl]-2,5-dioxopyrrol-3-yl]indol-1-yl]ethoxy]ethyl methanesulfonate;oxolane;propane.
What is the SMILES notation for butane;tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]acetamide;3-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methanamine;methane;methyl 2-[1-[2-[2-[[deuterio(tritio)boranyl]methylsulfanyloxy]ethoxy]ethyl]indol-3-yl]-2-oxoacetate;20-methyl-17,23-dioxa-4,14,20,26,33-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;2-[2-[3-[4-[1-[2-(2-methylsulfonyloxyethoxy)ethyl]indazol-3-yl]-2,5-dioxopyrrol-3-yl]indol-1-yl]ethoxy]ethyl methanesulfonate;oxolane;propane?
The canonical SMILES for butane;tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]acetamide;3-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methanamine;methane;methyl 2-[1-[2-[2-[[deuterio(tritio)boranyl]methylsulfanyloxy]ethoxy]ethyl]indol-3-yl]-2-oxoacetate;20-methyl-17,23-dioxa-4,14,20,26,33-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;2-[2-[3-[4-[1-[2-(2-methylsulfonyloxyethoxy)ethyl]indazol-3-yl]-2,5-dioxopyrrol-3-yl]indol-1-yl]ethoxy]ethyl methanesulfonate;oxolane;propane is C.C1CCOC1.CC(C)(C)[Si](C)(C)OCCOCCCl.CCC.CCCC.CN.CN1CCOCCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2nn(c3ccccc23)CCOCC1.CS(=O)(=O)OCCOCCn1cc(C2=C(c3nn(CCOCCOS(C)(=O)=O)c4ccccc34)C(=O)NC2=O)c2ccccc21.NC(=O)Cc1[nH]nc2ccccc12.NC(=O)Cc1nn(CCOCCO)c2ccccc12.O=C(O)Cc1[nH]nc2ccccc12.O=C1NC(=O)C(c2nn(CCOCCO)c3ccccc23)=C1c1cn(CCOCCO)c2ccccc12.OCCOCCCl.[2H]B([3H])CSOCCOCCn1cc(C(=O)C(=O)OC)c2ccccc21.
What is the InChIKey of butane;tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]acetamide;3-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methanamine;methane;methyl 2-[1-[2-[2-[[deuterio(tritio)boranyl]methylsulfanyloxy]ethoxy]ethyl]indol-3-yl]-2-oxoacetate;20-methyl-17,23-dioxa-4,14,20,26,33-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;2-[2-[3-[4-[1-[2-(2-methylsulfonyloxyethoxy)ethyl]indazol-3-yl]-2,5-dioxopyrrol-3-yl]indol-1-yl]ethoxy]ethyl methanesulfonate;oxolane;propane?
The InChIKey is WCADJOCOAVJBLC-IMQFBJOGSA-N. The full InChI is InChI=1S/C29H32N4O10S2.C28H29N5O4.C27H28N4O6.C16H20BNO5S.C13H17N3O3.C10H23ClO2Si.C9H9N3O.C9H8N2O2.C4H9ClO2.C4H8O.C4H10.C3H8.CH5N.CH4/c1-44(36,37)42-17-15-40-13-11-32-19-22(20-7-3-5-9-23(20)32)25-26(29(35)30-28(25)34)27-21-8-4-6-10-24(21)33(31-27)12-14-41-16-18-43-45(2,38)39;1-31-10-14-36-16-12-32-18-21(19-6-2-4-8-22(19)32)24-25(28(35)29-27(24)34)26-20-7-3-5-9-23(20)33(30-26)13-17-37-15-11-31;32-11-15-36-13-9-30-17-20(18-5-1-3-7-21(18)30)23-24(27(35)28-26(23)34)25-19-6-2-4-8-22(19)31(29-25)10-14-37-16-12-33;1-21-16(20)15(19)13-10-18(14-5-3-2-4-12(13)14)6-7-22-8-9-23-24-11-17;14-13(18)9-11-10-3-1-2-4-12(10)16(15-11)5-7-19-8-6-17;1-10(2,3)14(4,5)13-9-8-12-7-6-11;10-9(13)5-8-6-3-1-2-4-7(6)11-12-8;12-9(13)5-8-6-3-1-2-4-7(6)10-11-8;5-1-3-7-4-2-6;1-2-4-5-3-1;1-3-4-2;1-3-2;1-2;/h3-10,19H,11-18H2,1-2H3,(H,30,34,35);2-9,18H,10-17H2,1H3,(H,29,34,35);1-8,17,32-33H,9-16H2,(H,28,34,35);2-5,10H,6-9,11,17H2,1H3;1-4,17H,5-9H2,(H2,14,18);6-9H2,1-5H3;1-4H,5H2,(H2,10,13)(H,11,12);1-4H,5H2,(H,10,11)(H,12,13);6H,1-4H2;1-4H2;3-4H2,1-2H3;3H2,1-2H3;2H2,1H3;1H4/i;;;17TD;;;;;;;;;;.
What are the key properties of butane;tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]acetamide;3-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methanamine;methane;methyl 2-[1-[2-[2-[[deuterio(tritio)boranyl]methylsulfanyloxy]ethoxy]ethyl]indol-3-yl]-2-oxoacetate;20-methyl-17,23-dioxa-4,14,20,26,33-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;2-[2-[3-[4-[1-[2-(2-methylsulfonyloxyethoxy)ethyl]indazol-3-yl]-2,5-dioxopyrrol-3-yl]indol-1-yl]ethoxy]ethyl methanesulfonate;oxolane;propane?
butane;tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]acetamide;3-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methanamine;methane;methyl 2-[1-[2-[2-[[deuterio(tritio)boranyl]methylsulfanyloxy]ethoxy]ethyl]indol-3-yl]-2-oxoacetate;20-methyl-17,23-dioxa-4,14,20,26,33-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;2-[2-[3-[4-[1-[2-(2-methylsulfonyloxyethoxy)ethyl]indazol-3-yl]-2,5-dioxopyrrol-3-yl]indol-1-yl]ethoxy]ethyl methanesulfonate;oxolane;propane has a molecular weight of 3216.56 g/mol, XLogP of 16.51, 61 rotatable bonds, 13 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for butane;tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]acetamide;3-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methanamine;methane;methyl 2-[1-[2-[2-[[deuterio(tritio)boranyl]methylsulfanyloxy]ethoxy]ethyl]indol-3-yl]-2-oxoacetate;20-methyl-17,23-dioxa-4,14,20,26,33-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;2-[2-[3-[4-[1-[2-(2-methylsulfonyloxyethoxy)ethyl]indazol-3-yl]-2,5-dioxopyrrol-3-yl]indol-1-yl]ethoxy]ethyl methanesulfonate;oxolane;propane is sourced from PubChem (CID 161462667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).