(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dibromobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dichlorobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrabromobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrachlorobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,7-trichloro-6-methylbenzotriazol-2-yl)propanoyl]amino]benzoate

C211H232Br6Cl19N25O50 — CID 91489261

IUPAC(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dibromobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dichlorobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrabromobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrachlorobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,7-trichloro-6-methylbenzotriazol-2-yl)propanoyl]amino]benzoate
SMILESCCCCCCCCCCCCOC(=O)C(C)OC(=O)c1ccc(Cl)c(NC(=O)C(C(=O)Nc2cc(C(=O)OC(C)C(=O)OC)ccc2Cl)n2nc3c(Br)c(Br)c(Br)c(Br)c3n2)c1.CCCCCCCCCCCCOC(=O)C(C)OC(=O)c1ccc(Cl)c(NC(=O)C(C(=O)Nc2cc(C(=O)OC(C)C(=O)OC)ccc2Cl)n2nc3c(Br)ccc(Br)c3n2)c1.CCCCCCCCCCCCOC(=O)C(C)OC(=O)c1ccc(Cl)c(NC(=O)C(C(=O)Nc2cc(C(=O)OC(C)C(=O)OC)ccc2Cl)n2nc3c(Cl)c(C)c(Cl)c(Cl)c3n2)c1.CCCCCCCCCCCCOC(=O)C(C)OC(=O)c1ccc(Cl)c(NC(=O)C(C(=O)Nc2cc(C(=O)OC(C)C(=O)OC)ccc2Cl)n2nc3c(Cl)c(Cl)c(Cl)c(Cl)c3n2)c1.CCCCCCCCCCCCOC(=O)C(C)OC(=O)c1ccc(Cl)c(NC(=O)C(C(=O)Nc2cc(C(=O)OC(C)C(=O)OC)ccc2Cl)n2nc3c(Cl)ccc(Cl)c3n2)c1
InChIInChI=1S/C43H48Cl5N5O10.C42H45Br4Cl2N5O10.C42H47Br2Cl2N5O10.C42H45Cl6N5O10.C42H47Cl4N5O10/c1-6-7-8-9-10-11-12-13-14-15-20-61-41(57)25(4)63-43(59)27-17-19-29(45)31(22-27)50-39(55)37(53-51-35-33(47)23(2)32(46)34(48)36(35)52-53)38(54)49-30-21-26(16-18-28(30)44)42(58)62-24(3)40(56)60-5;1-5-6-7-8-9-10-11-12-13-14-19-61-40(57)23(3)63-42(59)25-16-18-27(48)29(21-25)50-38(55)36(53-51-34-32(45)30(43)31(44)33(46)35(34)52-53)37(54)49-28-20-24(15-17-26(28)47)41(58)62-22(2)39(56)60-4;1-5-6-7-8-9-10-11-12-13-14-21-59-40(55)25(3)61-42(57)27-16-20-31(46)33(23-27)48-38(53)36(51-49-34-28(43)17-18-29(44)35(34)50-51)37(52)47-32-22-26(15-19-30(32)45)41(56)60-24(2)39(54)58-4;1-5-6-7-8-9-10-11-12-13-14-19-61-40(57)23(3)63-42(59)25-16-18-27(44)29(21-25)50-38(55)36(53-51-34-32(47)30(45)31(46)33(48)35(34)52-53)37(54)49-28-20-24(15-17-26(28)43)41(58)62-22(2)39(56)60-4;1-5-6-7-8-9-10-11-12-13-14-21-59-40(55)25(3)61-42(57)27-16-18-29(44)33(23-27)48-38(53)36(51-49-34-30(45)19-20-31(46)35(34)50-51)37(52)47-32-22-26(15-17-28(32)43)41(56)60-24(2)39(54)58-4/h16-19,21-22,24-25,37H,6-15,20H2,1-5H3,(H,49,54)(H,50,55);15-18,20-23,36H,5-14,19H2,1-4H3,(H,49,54)(H,50,55);15-20,22-25,36H,5-14,21H2,1-4H3,(H,47,52)(H,48,53);15-18,20-23,36H,5-14,19H2,1-4H3,(H,49,54)(H,50,55);15-20,22-25,36H,5-14,21H2,1-4H3,(H,47,52)(H,48,53)
InChIKeyBMEHENQTAAJVSE-UHFFFAOYSA-N
MW5071.33 g/mol
LogP52.19
Rot. Bonds110

About (1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dibromobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dichlorobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrabromobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrachlorobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,7-trichloro-6-methylbenzotriazol-2-yl)propanoyl]amino]benzoate

(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dibromobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dichlorobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrabromobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrachlorobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,7-trichloro-6-methylbenzotriazol-2-yl)propanoyl]amino]benzoate (PubChem CID 91489261) has the molecular formula C211H232Br6Cl19N25O50 and a molecular weight of 5071.33 g/mol. Its IUPAC name is (1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dibromobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dichlorobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrabromobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrachlorobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,7-trichloro-6-methylbenzotriazol-2-yl)propanoyl]amino]benzoate.

Molecular Properties

Compound Name(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dibromobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dichlorobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrabromobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrachlorobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,7-trichloro-6-methylbenzotriazol-2-yl)propanoyl]amino]benzoate
PubChem CID91489261
Molecular FormulaC211H232Br6Cl19N25O50
Molecular Weight5071.33 g/mol
Exact Mass5053.56
IUPAC Name(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dibromobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dichlorobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrabromobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrachlorobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,7-trichloro-6-methylbenzotriazol-2-yl)propanoyl]amino]benzoate
SMILESCCCCCCCCCCCCOC(=O)C(C)OC(=O)c1ccc(Cl)c(NC(=O)C(C(=O)Nc2cc(C(=O)OC(C)C(=O)OC)ccc2Cl)n2nc3c(Br)c(Br)c(Br)c(Br)c3n2)c1.CCCCCCCCCCCCOC(=O)C(C)OC(=O)c1ccc(Cl)c(NC(=O)C(C(=O)Nc2cc(C(=O)OC(C)C(=O)OC)ccc2Cl)n2nc3c(Br)ccc(Br)c3n2)c1.CCCCCCCCCCCCOC(=O)C(C)OC(=O)c1ccc(Cl)c(NC(=O)C(C(=O)Nc2cc(C(=O)OC(C)C(=O)OC)ccc2Cl)n2nc3c(Cl)c(C)c(Cl)c(Cl)c3n2)c1.CCCCCCCCCCCCOC(=O)C(C)OC(=O)c1ccc(Cl)c(NC(=O)C(C(=O)Nc2cc(C(=O)OC(C)C(=O)OC)ccc2Cl)n2nc3c(Cl)c(Cl)c(Cl)c(Cl)c3n2)c1.CCCCCCCCCCCCOC(=O)C(C)OC(=O)c1ccc(Cl)c(NC(=O)C(C(=O)Nc2cc(C(=O)OC(C)C(=O)OC)ccc2Cl)n2nc3c(Cl)ccc(Cl)c3n2)c1
InChIInChI=1S/C43H48Cl5N5O10.C42H45Br4Cl2N5O10.C42H47Br2Cl2N5O10.C42H45Cl6N5O10.C42H47Cl4N5O10/c1-6-7-8-9-10-11-12-13-14-15-20-61-41(57)25(4)63-43(59)27-17-19-29(45)31(22-27)50-39(55)37(53-51-35-33(47)23(2)32(46)34(48)36(35)52-53)38(54)49-30-21-26(16-18-28(30)44)42(58)62-24(3)40(56)60-5;1-5-6-7-8-9-10-11-12-13-14-19-61-40(57)23(3)63-42(59)25-16-18-27(48)29(21-25)50-38(55)36(53-51-34-32(45)30(43)31(44)33(46)35(34)52-53)37(54)49-28-20-24(15-17-26(28)47)41(58)62-22(2)39(56)60-4;1-5-6-7-8-9-10-11-12-13-14-21-59-40(55)25(3)61-42(57)27-16-20-31(46)33(23-27)48-38(53)36(51-49-34-28(43)17-18-29(44)35(34)50-51)37(52)47-32-22-26(15-19-30(32)45)41(56)60-24(2)39(54)58-4;1-5-6-7-8-9-10-11-12-13-14-19-61-40(57)23(3)63-42(59)25-16-18-27(44)29(21-25)50-38(55)36(53-51-34-32(47)30(45)31(46)33(48)35(34)52-53)37(54)49-28-20-24(15-17-26(28)43)41(58)62-22(2)39(56)60-4;1-5-6-7-8-9-10-11-12-13-14-21-59-40(55)25(3)61-42(57)27-16-18-29(44)33(23-27)48-38(53)36(51-49-34-30(45)19-20-31(46)35(34)50-51)37(52)47-32-22-26(15-17-28(32)43)41(56)60-24(2)39(54)58-4/h16-19,21-22,24-25,37H,6-15,20H2,1-5H3,(H,49,54)(H,50,55);15-18,20-23,36H,5-14,19H2,1-4H3,(H,49,54)(H,50,55);15-20,22-25,36H,5-14,21H2,1-4H3,(H,47,52)(H,48,53);15-18,20-23,36H,5-14,19H2,1-4H3,(H,49,54)(H,50,55);15-20,22-25,36H,5-14,21H2,1-4H3,(H,47,52)(H,48,53)
InChIKeyBMEHENQTAAJVSE-UHFFFAOYSA-N
XLogP52.19
TPSA970.55 Ų
H-Bond Donors10
H-Bond Acceptors65
Rotatable Bonds110
Heavy Atoms311
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005071.33
LogP ≤ 552.19
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1065

Analyze (1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dibromobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dichlorobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrabromobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrachlorobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,7-trichloro-6-methylbenzotriazol-2-yl)propanoyl]amino]benzoate with MolForge

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Launch Full Analysis

Related Compounds

(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrachlorobenzotriazol-2-yl)propanoyl]amino]benzoate
CID 20659356
1-dodecylperoxypropan-2-yl 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-methyl-3-oxopropanoyl]amino]benzoate
CID 21344536
phenyl 1-[1-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-[2-chloro-5-[(1-dodecoxy-1-oxopropan-2-yl)peroxymethyl]anilino]-1,3-dioxopropan-2-yl]benzotriazole-5-carboxylate
CID 54443043
(1-dodecoxy-1-oxohexan-2-yl) 4-chloro-3-[(2-chloro-4,4-dimethyl-3-oxopentanoyl)amino]benzoate
CID 53439592
heptyl 3,4-dichlorobenzoate
CID 122397829
hexadecyl 3-[2-(3-amino-2,2-dimethylpropanoyl)hexanoylamino]-4-chlorobenzoate
CID 56978621
dodecyl 4-chloro-3-[[2-[4-[2-(2-methoxyethoxy)ethoxy]-2,5-dioxoimidazolidin-1-yl]-3-oxo-3-phenylpropanoyl]amino]benzoate
CID 20682055
ethyl 4-chloro-3-[[3-(2-chloro-5-ethoxycarbonylanilino)-2-methyl-3-oxopropanoyl]amino]benzoate
CID 20719550
hexadecyl 4-chloro-3-[[2-(2,3-dihydrobenzotriazol-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]benzoate
CID 22967892
[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 4-hexoxybenzoate
CID 5066963
dodecyl 4-chloro-3-[[2-(4-ethoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-(4-methylphenyl)-3-oxopropanoyl]amino]benzoate
CID 59903027
N,N-dimethylmethanamine;hexadecyl 3,4-dichlorobenzoate
CID 70451741

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dibromobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dichlorobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrabromobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrachlorobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,7-trichloro-6-methylbenzotriazol-2-yl)propanoyl]amino]benzoate?
The IUPAC name of (1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dibromobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dichlorobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrabromobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrachlorobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,7-trichloro-6-methylbenzotriazol-2-yl)propanoyl]amino]benzoate (CID 91489261) is (1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dibromobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dichlorobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrabromobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrachlorobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,7-trichloro-6-methylbenzotriazol-2-yl)propanoyl]amino]benzoate.
What is the SMILES notation for (1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dibromobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dichlorobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrabromobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrachlorobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,7-trichloro-6-methylbenzotriazol-2-yl)propanoyl]amino]benzoate?
The canonical SMILES for (1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dibromobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dichlorobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrabromobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrachlorobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,7-trichloro-6-methylbenzotriazol-2-yl)propanoyl]amino]benzoate is CCCCCCCCCCCCOC(=O)C(C)OC(=O)c1ccc(Cl)c(NC(=O)C(C(=O)Nc2cc(C(=O)OC(C)C(=O)OC)ccc2Cl)n2nc3c(Br)c(Br)c(Br)c(Br)c3n2)c1.CCCCCCCCCCCCOC(=O)C(C)OC(=O)c1ccc(Cl)c(NC(=O)C(C(=O)Nc2cc(C(=O)OC(C)C(=O)OC)ccc2Cl)n2nc3c(Br)ccc(Br)c3n2)c1.CCCCCCCCCCCCOC(=O)C(C)OC(=O)c1ccc(Cl)c(NC(=O)C(C(=O)Nc2cc(C(=O)OC(C)C(=O)OC)ccc2Cl)n2nc3c(Cl)c(C)c(Cl)c(Cl)c3n2)c1.CCCCCCCCCCCCOC(=O)C(C)OC(=O)c1ccc(Cl)c(NC(=O)C(C(=O)Nc2cc(C(=O)OC(C)C(=O)OC)ccc2Cl)n2nc3c(Cl)c(Cl)c(Cl)c(Cl)c3n2)c1.CCCCCCCCCCCCOC(=O)C(C)OC(=O)c1ccc(Cl)c(NC(=O)C(C(=O)Nc2cc(C(=O)OC(C)C(=O)OC)ccc2Cl)n2nc3c(Cl)ccc(Cl)c3n2)c1.
What is the InChIKey of (1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dibromobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dichlorobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrabromobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrachlorobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,7-trichloro-6-methylbenzotriazol-2-yl)propanoyl]amino]benzoate?
The InChIKey is BMEHENQTAAJVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48Cl5N5O10.C42H45Br4Cl2N5O10.C42H47Br2Cl2N5O10.C42H45Cl6N5O10.C42H47Cl4N5O10/c1-6-7-8-9-10-11-12-13-14-15-20-61-41(57)25(4)63-43(59)27-17-19-29(45)31(22-27)50-39(55)37(53-51-35-33(47)23(2)32(46)34(48)36(35)52-53)38(54)49-30-21-26(16-18-28(30)44)42(58)62-24(3)40(56)60-5;1-5-6-7-8-9-10-11-12-13-14-19-61-40(57)23(3)63-42(59)25-16-18-27(48)29(21-25)50-38(55)36(53-51-34-32(45)30(43)31(44)33(46)35(34)52-53)37(54)49-28-20-24(15-17-26(28)47)41(58)62-22(2)39(56)60-4;1-5-6-7-8-9-10-11-12-13-14-21-59-40(55)25(3)61-42(57)27-16-20-31(46)33(23-27)48-38(53)36(51-49-34-28(43)17-18-29(44)35(34)50-51)37(52)47-32-22-26(15-19-30(32)45)41(56)60-24(2)39(54)58-4;1-5-6-7-8-9-10-11-12-13-14-19-61-40(57)23(3)63-42(59)25-16-18-27(44)29(21-25)50-38(55)36(53-51-34-32(47)30(45)31(46)33(48)35(34)52-53)37(54)49-28-20-24(15-17-26(28)43)41(58)62-22(2)39(56)60-4;1-5-6-7-8-9-10-11-12-13-14-21-59-40(55)25(3)61-42(57)27-16-18-29(44)33(23-27)48-38(53)36(51-49-34-30(45)19-20-31(46)35(34)50-51)37(52)47-32-22-26(15-17-28(32)43)41(56)60-24(2)39(54)58-4/h16-19,21-22,24-25,37H,6-15,20H2,1-5H3,(H,49,54)(H,50,55);15-18,20-23,36H,5-14,19H2,1-4H3,(H,49,54)(H,50,55);15-20,22-25,36H,5-14,21H2,1-4H3,(H,47,52)(H,48,53);15-18,20-23,36H,5-14,19H2,1-4H3,(H,49,54)(H,50,55);15-20,22-25,36H,5-14,21H2,1-4H3,(H,47,52)(H,48,53).
What are the key properties of (1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dibromobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dichlorobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrabromobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrachlorobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,7-trichloro-6-methylbenzotriazol-2-yl)propanoyl]amino]benzoate?
(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dibromobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dichlorobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrabromobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrachlorobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,7-trichloro-6-methylbenzotriazol-2-yl)propanoyl]amino]benzoate has a molecular weight of 5071.33 g/mol, XLogP of 52.19, 110 rotatable bonds, 10 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dibromobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-2-(4,7-dichlorobenzotriazol-2-yl)-3-oxopropanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrabromobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,6,7-tetrachlorobenzotriazol-2-yl)propanoyl]amino]benzoate;(1-methoxy-1-oxopropan-2-yl) 4-chloro-3-[[3-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-oxo-2-(4,5,7-trichloro-6-methylbenzotriazol-2-yl)propanoyl]amino]benzoate is sourced from PubChem (CID 91489261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).