2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[4-[(6-chloro-1,3-benzoxazol-2-yl)diazenyl]-N-ethyl-2-methylanilino]ethyl]propanamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-(dioctylamino)phenyl]acetamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-[di(propan-2-yl)amino]phenyl]acetamide;2,5-dichloro-4-[5-[(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)diazenyl]-4-cyanopyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide;ethane

C149H198Cl8N28O10S — CID 159472294

IUPAC2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[4-[(6-chloro-1,3-benzoxazol-2-yl)diazenyl]-N-ethyl-2-methylanilino]ethyl]propanamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-(dioctylamino)phenyl]acetamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-[di(propan-2-yl)amino]phenyl]acetamide;2,5-dichloro-4-[5-[(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)diazenyl]-4-cyanopyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide;ethane
SMILESCC.CCCCC(CC)OCNc1cc(Cl)c(-n2nc(C(C)(C)C)c(C#N)c2/N=N/c2ccc(N(C(C)C)C(C)C)cc2NC(C)=O)c(Cl)c1.CCCCCCCCN(CCCCCCCC)c1ccc(/N=N/c2c(C#N)c(C(C)(C)C)nn2-c2c(Cl)cc(NCOC(CC)CCCC)cc2Cl)c(NC(C)=O)c1.CCN(CCNC(=O)C(C)Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)c1ccc(/N=N/c2nc3ccc(Cl)cc3o2)cc1C.COc1ccc(C)cc1NS(=O)(=O)c1cc(Cl)c(-n2ncc(C#N)c2/N=N/c2cc3c(cc2Cl)N(C)CCC3)cc1Cl
InChIInChI=1S/C46H70Cl2N8O2.C37H48ClN5O3.C36H50Cl2N8O2.C28H24Cl3N7O3S.C2H6/c1-9-13-16-18-20-22-27-55(28-23-21-19-17-14-10-2)36-25-26-41(42(31-36)51-34(5)57)52-53-45-38(32-49)44(46(6,7)8)54-56(45)43-39(47)29-35(30-40(43)48)50-33-58-37(12-4)24-15-11-3;1-10-36(6,7)26-13-18-32(29(22-26)37(8,9)11-2)45-25(5)34(44)39-19-20-43(12-3)31-17-15-28(21-24(31)4)41-42-35-40-30-16-14-27(38)23-33(30)46-35;1-11-13-14-27(12-2)48-21-40-25-17-29(37)33(30(38)18-25)46-35(28(20-39)34(44-46)36(8,9)10)43-42-31-16-15-26(19-32(31)41-24(7)47)45(22(3)4)23(5)6;1-16-6-7-26(41-3)23(9-16)36-42(39,40)27-13-20(30)25(12-21(27)31)38-28(18(14-32)15-33-38)35-34-22-10-17-5-4-8-37(2)24(17)11-19(22)29;1-2/h25-26,29-31,37,50H,9-24,27-28,33H2,1-8H3,(H,51,57);13-18,21-23,25H,10-12,19-20H2,1-9H3,(H,39,44);15-19,22-23,27,40H,11-14,21H2,1-10H3,(H,41,47);6-7,9-13,15,36H,4-5,8H2,1-3H3;1-2H3/b53-52+;42-41+;43-42+;35-34+;
InChIKeyLVYLZSMVEXEJBR-GSJQGJGYSA-N
MW2857.10 g/mol
LogP43.94
Rot. Bonds63

About 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[4-[(6-chloro-1,3-benzoxazol-2-yl)diazenyl]-N-ethyl-2-methylanilino]ethyl]propanamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-(dioctylamino)phenyl]acetamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-[di(propan-2-yl)amino]phenyl]acetamide;2,5-dichloro-4-[5-[(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)diazenyl]-4-cyanopyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide;ethane

2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[4-[(6-chloro-1,3-benzoxazol-2-yl)diazenyl]-N-ethyl-2-methylanilino]ethyl]propanamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-(dioctylamino)phenyl]acetamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-[di(propan-2-yl)amino]phenyl]acetamide;2,5-dichloro-4-[5-[(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)diazenyl]-4-cyanopyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide;ethane (PubChem CID 159472294) has the molecular formula C149H198Cl8N28O10S and a molecular weight of 2857.10 g/mol. Its IUPAC name is 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[4-[(6-chloro-1,3-benzoxazol-2-yl)diazenyl]-N-ethyl-2-methylanilino]ethyl]propanamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-(dioctylamino)phenyl]acetamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-[di(propan-2-yl)amino]phenyl]acetamide;2,5-dichloro-4-[5-[(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)diazenyl]-4-cyanopyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide;ethane.

Molecular Properties

Compound Name2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[4-[(6-chloro-1,3-benzoxazol-2-yl)diazenyl]-N-ethyl-2-methylanilino]ethyl]propanamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-(dioctylamino)phenyl]acetamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-[di(propan-2-yl)amino]phenyl]acetamide;2,5-dichloro-4-[5-[(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)diazenyl]-4-cyanopyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide;ethane
PubChem CID159472294
Molecular FormulaC149H198Cl8N28O10S
Molecular Weight2857.10 g/mol
Exact Mass2851.31
IUPAC Name2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[4-[(6-chloro-1,3-benzoxazol-2-yl)diazenyl]-N-ethyl-2-methylanilino]ethyl]propanamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-(dioctylamino)phenyl]acetamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-[di(propan-2-yl)amino]phenyl]acetamide;2,5-dichloro-4-[5-[(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)diazenyl]-4-cyanopyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide;ethane
SMILESCC.CCCCC(CC)OCNc1cc(Cl)c(-n2nc(C(C)(C)C)c(C#N)c2/N=N/c2ccc(N(C(C)C)C(C)C)cc2NC(C)=O)c(Cl)c1.CCCCCCCCN(CCCCCCCC)c1ccc(/N=N/c2c(C#N)c(C(C)(C)C)nn2-c2c(Cl)cc(NCOC(CC)CCCC)cc2Cl)c(NC(C)=O)c1.CCN(CCNC(=O)C(C)Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)c1ccc(/N=N/c2nc3ccc(Cl)cc3o2)cc1C.COc1ccc(C)cc1NS(=O)(=O)c1cc(Cl)c(-n2ncc(C#N)c2/N=N/c2cc3c(cc2Cl)N(C)CCC3)cc1Cl
InChIInChI=1S/C46H70Cl2N8O2.C37H48ClN5O3.C36H50Cl2N8O2.C28H24Cl3N7O3S.C2H6/c1-9-13-16-18-20-22-27-55(28-23-21-19-17-14-10-2)36-25-26-41(42(31-36)51-34(5)57)52-53-45-38(32-49)44(46(6,7)8)54-56(45)43-39(47)29-35(30-40(43)48)50-33-58-37(12-4)24-15-11-3;1-10-36(6,7)26-13-18-32(29(22-26)37(8,9)11-2)45-25(5)34(44)39-19-20-43(12-3)31-17-15-28(21-24(31)4)41-42-35-40-30-16-14-27(38)23-33(30)46-35;1-11-13-14-27(12-2)48-21-40-25-17-29(37)33(30(38)18-25)46-35(28(20-39)34(44-46)36(8,9)10)43-42-31-16-15-26(19-32(31)41-24(7)47)45(22(3)4)23(5)6;1-16-6-7-26(41-3)23(9-16)36-42(39,40)27-13-20(30)25(12-21(27)31)38-28(18(14-32)15-33-38)35-34-22-10-17-5-4-8-37(2)24(17)11-19(22)29;1-2/h25-26,29-31,37,50H,9-24,27-28,33H2,1-8H3,(H,51,57);13-18,21-23,25H,10-12,19-20H2,1-9H3,(H,39,44);15-19,22-23,27,40H,11-14,21H2,1-10H3,(H,41,47);6-7,9-13,15,36H,4-5,8H2,1-3H3;1-2H3/b53-52+;42-41+;43-42+;35-34+;
InChIKeyLVYLZSMVEXEJBR-GSJQGJGYSA-N
XLogP43.94
TPSA457.15 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds63
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002857.10
LogP ≤ 543.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[4-[(6-chloro-1,3-benzoxazol-2-yl)diazenyl]-N-ethyl-2-methylanilino]ethyl]propanamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-(dioctylamino)phenyl]acetamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-[di(propan-2-yl)amino]phenyl]acetamide;2,5-dichloro-4-[5-[(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)diazenyl]-4-cyanopyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide;ethane with MolForge

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Related Compounds

2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[4-[(6-chloro-1,3-benzoxazol-2-yl)diazenyl]-N-ethyl-2-methylanilino]ethyl]propanamide
CID 59124373
4-[5-[[2-acetamido-4-[ethyl(4-sulfobutyl)amino]phenyl]diazenyl]-4-cyanopyrazol-1-yl]-2,5-dichlorobenzenesulfonic acid
CID 23385944
N-[4-[5-[[2-acetamido-4-(dioctylamino)phenyl]diazenyl]-3-tert-butyl-4-cyanopyrazol-1-yl]-3,5-dichlorophenyl]-2-ethylhexanamide;N-[4-[5-[[2-acetamido-4-[di(propan-2-yl)amino]phenyl]diazenyl]-3-tert-butyl-4-cyanopyrazol-1-yl]-3,5-dichlorophenyl]-2-ethylhexanamide;5-[[4-[2-aminoethynyl(octyl)amino]-2-(trifluoromethyl)phenyl]diazenyl]-3-propan-2-yl-1-(2,4,6-trifluorophenyl)pyrazole-4-carbonitrile;N-[4-[6-tert-butyl-7-[4-(2-ethoxyethylamino)phenyl]iminopyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]-2-(3-ethoxypropyl)benzamide
CID 91588425
tripotassium;4-[5-[[2-acetamido-4-[bis(4-sulfonatobutyl)amino]phenyl]diazenyl]-3-tert-butyl-4-cyanopyrazol-1-yl]-3,5-dichlorobenzenesulfonate
CID 59911781
trisodium;4-[3-acetamido-4-[[3-tert-butyl-4-cyano-1-(2,6-dichloro-4-sulfonatophenyl)pyrazol-5-yl]diazenyl]-N-(3-carboxylatopropyl)anilino]butanoate
CID 21351151
tripotassium;4-[5-[[2-acetamido-4-[bis(4-sulfonatobutyl)amino]phenyl]diazenyl]-3-tert-butyl-4-cyanopyrazol-1-yl]-2,3,5,6-tetrachlorobenzoate
CID 21351211
N-[2-[[3-tert-butyl-4-cyano-1-(2,6-dichloro-4-nitrophenyl)pyrazol-5-yl]diazenyl]-5-[di(propan-2-yl)amino]phenyl]acetamide;N-[2-[(5-tert-butyl-4-cyano-1H-pyrazol-3-yl)diazenyl]-5-[di(propan-2-yl)amino]phenyl]acetamide;1,3-dichloro-2-iodo-5-nitrobenzene
CID 157196819
N-[2-[[1-(2-chloro-4-cyano-5-isocyanophenyl)-4-cyano-3-methylpyrazol-5-yl]diazenyl]-5-[2-cyanoethyl(octyl)amino]phenyl]acetamide
CID 21052368
N-[3-chloro-5-[[4-cyano-1-[2,5-dichloro-4-[[3-[[5-hexadecoxy-2-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]sulfamoyl]-4-morpholin-4-ylphenyl]sulfamoyl]phenyl]pyrazol-5-yl]diazenyl]-2-hydroxyphenyl]propanamide
CID 136830173
N-[4-[5-[[2-acetamido-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]-3,5-dichlorophenyl]acetamide
CID 23385960
4-[3-acetamido-4-[[3-tert-butyl-4-cyano-1-[4-(2-sulfoethylamino)-6-[2-(trioxidanylsulfanyl)ethylamino]-1,3,5-triazin-2-yl]pyrazol-5-yl]diazenyl]-N-ethylanilino]butane-1-sulfonic acid
CID 18335364
4-[3-acetamido-4-[[4-cyano-1-(2,6-dichloro-4-sulfophenyl)-3-methylpyrazol-5-yl]diazenyl]-N-(4-sulfobutyl)anilino]butanoic acid
CID 59911785

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[4-[(6-chloro-1,3-benzoxazol-2-yl)diazenyl]-N-ethyl-2-methylanilino]ethyl]propanamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-(dioctylamino)phenyl]acetamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-[di(propan-2-yl)amino]phenyl]acetamide;2,5-dichloro-4-[5-[(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)diazenyl]-4-cyanopyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide;ethane?
The IUPAC name of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[4-[(6-chloro-1,3-benzoxazol-2-yl)diazenyl]-N-ethyl-2-methylanilino]ethyl]propanamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-(dioctylamino)phenyl]acetamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-[di(propan-2-yl)amino]phenyl]acetamide;2,5-dichloro-4-[5-[(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)diazenyl]-4-cyanopyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide;ethane (CID 159472294) is 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[4-[(6-chloro-1,3-benzoxazol-2-yl)diazenyl]-N-ethyl-2-methylanilino]ethyl]propanamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-(dioctylamino)phenyl]acetamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-[di(propan-2-yl)amino]phenyl]acetamide;2,5-dichloro-4-[5-[(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)diazenyl]-4-cyanopyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide;ethane.
What is the SMILES notation for 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[4-[(6-chloro-1,3-benzoxazol-2-yl)diazenyl]-N-ethyl-2-methylanilino]ethyl]propanamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-(dioctylamino)phenyl]acetamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-[di(propan-2-yl)amino]phenyl]acetamide;2,5-dichloro-4-[5-[(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)diazenyl]-4-cyanopyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide;ethane?
The canonical SMILES for 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[4-[(6-chloro-1,3-benzoxazol-2-yl)diazenyl]-N-ethyl-2-methylanilino]ethyl]propanamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-(dioctylamino)phenyl]acetamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-[di(propan-2-yl)amino]phenyl]acetamide;2,5-dichloro-4-[5-[(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)diazenyl]-4-cyanopyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide;ethane is CC.CCCCC(CC)OCNc1cc(Cl)c(-n2nc(C(C)(C)C)c(C#N)c2/N=N/c2ccc(N(C(C)C)C(C)C)cc2NC(C)=O)c(Cl)c1.CCCCCCCCN(CCCCCCCC)c1ccc(/N=N/c2c(C#N)c(C(C)(C)C)nn2-c2c(Cl)cc(NCOC(CC)CCCC)cc2Cl)c(NC(C)=O)c1.CCN(CCNC(=O)C(C)Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)c1ccc(/N=N/c2nc3ccc(Cl)cc3o2)cc1C.COc1ccc(C)cc1NS(=O)(=O)c1cc(Cl)c(-n2ncc(C#N)c2/N=N/c2cc3c(cc2Cl)N(C)CCC3)cc1Cl.
What is the InChIKey of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[4-[(6-chloro-1,3-benzoxazol-2-yl)diazenyl]-N-ethyl-2-methylanilino]ethyl]propanamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-(dioctylamino)phenyl]acetamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-[di(propan-2-yl)amino]phenyl]acetamide;2,5-dichloro-4-[5-[(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)diazenyl]-4-cyanopyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide;ethane?
The InChIKey is LVYLZSMVEXEJBR-GSJQGJGYSA-N. The full InChI is InChI=1S/C46H70Cl2N8O2.C37H48ClN5O3.C36H50Cl2N8O2.C28H24Cl3N7O3S.C2H6/c1-9-13-16-18-20-22-27-55(28-23-21-19-17-14-10-2)36-25-26-41(42(31-36)51-34(5)57)52-53-45-38(32-49)44(46(6,7)8)54-56(45)43-39(47)29-35(30-40(43)48)50-33-58-37(12-4)24-15-11-3;1-10-36(6,7)26-13-18-32(29(22-26)37(8,9)11-2)45-25(5)34(44)39-19-20-43(12-3)31-17-15-28(21-24(31)4)41-42-35-40-30-16-14-27(38)23-33(30)46-35;1-11-13-14-27(12-2)48-21-40-25-17-29(37)33(30(38)18-25)46-35(28(20-39)34(44-46)36(8,9)10)43-42-31-16-15-26(19-32(31)41-24(7)47)45(22(3)4)23(5)6;1-16-6-7-26(41-3)23(9-16)36-42(39,40)27-13-20(30)25(12-21(27)31)38-28(18(14-32)15-33-38)35-34-22-10-17-5-4-8-37(2)24(17)11-19(22)29;1-2/h25-26,29-31,37,50H,9-24,27-28,33H2,1-8H3,(H,51,57);13-18,21-23,25H,10-12,19-20H2,1-9H3,(H,39,44);15-19,22-23,27,40H,11-14,21H2,1-10H3,(H,41,47);6-7,9-13,15,36H,4-5,8H2,1-3H3;1-2H3/b53-52+;42-41+;43-42+;35-34+;.
What are the key properties of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[4-[(6-chloro-1,3-benzoxazol-2-yl)diazenyl]-N-ethyl-2-methylanilino]ethyl]propanamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-(dioctylamino)phenyl]acetamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-[di(propan-2-yl)amino]phenyl]acetamide;2,5-dichloro-4-[5-[(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)diazenyl]-4-cyanopyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide;ethane?
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[4-[(6-chloro-1,3-benzoxazol-2-yl)diazenyl]-N-ethyl-2-methylanilino]ethyl]propanamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-(dioctylamino)phenyl]acetamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-[di(propan-2-yl)amino]phenyl]acetamide;2,5-dichloro-4-[5-[(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)diazenyl]-4-cyanopyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide;ethane has a molecular weight of 2857.10 g/mol, XLogP of 43.94, 63 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[4-[(6-chloro-1,3-benzoxazol-2-yl)diazenyl]-N-ethyl-2-methylanilino]ethyl]propanamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-(dioctylamino)phenyl]acetamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-[di(propan-2-yl)amino]phenyl]acetamide;2,5-dichloro-4-[5-[(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)diazenyl]-4-cyanopyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide;ethane is sourced from PubChem (CID 159472294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).