butyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate

C120H150F18N36O24S12 — CID 161160266

IUPACbutyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate
SMILESCC(C)COC(=O)c1nnc(/N=N/c2cc3c(cc2NS(=O)(=O)C(F)(F)F)N(C(C)C)CCC3)s1.CC(C)OC(=O)c1nnc(/N=N/c2cc3c(cc2NS(=O)(=O)C(F)(F)F)N(C(C)C)CCC3)s1.CC(C)OC(=O)c1nnc(/N=N/c2cc3c(cc2NS(=O)(=O)CC(F)(F)F)N(C(C)C)CCC3)s1.CCCCOC(=O)c1nnc(/N=N/c2cc3c(cc2NS(=O)(=O)C(F)(F)F)N(C(C)C)CCC3)s1.CCCCOC(=O)c1nnc(/N=N/c2cc3c(cc2NS(=O)(=O)CC(F)(F)F)N(C(C)C)CCC3)s1.CCCOC(=O)c1nnc(/N=N/c2cc3c(cc2NS(=O)(=O)CC(F)(F)F)N(C(C)C)CCC3)s1
InChIInChI=1S/C21H27F3N6O4S2.4C20H25F3N6O4S2.C19H23F3N6O4S2/c1-4-5-9-34-19(31)18-26-28-20(35-18)27-25-15-10-14-7-6-8-30(13(2)3)17(14)11-16(15)29-36(32,33)12-21(22,23)24;1-11(2)29-7-5-6-13-8-14(15(9-16(13)29)28-35(31,32)10-20(21,22)23)24-26-19-27-25-17(34-19)18(30)33-12(3)4;1-11(2)10-33-18(30)17-25-27-19(34-17)26-24-14-8-13-6-5-7-29(12(3)4)16(13)9-15(14)28-35(31,32)20(21,22)23;1-4-8-33-18(30)17-25-27-19(34-17)26-24-14-9-13-6-5-7-29(12(2)3)16(13)10-15(14)28-35(31,32)11-20(21,22)23;1-4-5-9-33-18(30)17-25-27-19(34-17)26-24-14-10-13-7-6-8-29(12(2)3)16(13)11-15(14)28-35(31,32)20(21,22)23;1-10(2)28-7-5-6-12-8-13(14(9-15(12)28)27-34(30,31)19(20,21)22)23-25-18-26-24-16(33-18)17(29)32-11(3)4/h10-11,13,29H,4-9,12H2,1-3H3;2*8-9,11-12,28H,5-7,10H2,1-4H3;9-10,12,28H,4-8,11H2,1-3H3;10-12,28H,4-9H2,1-3H3;8-11,27H,5-7H2,1-4H3/b27-25+;4*26-24+;25-23+
InChIKeyUPVFATYKYCYIFB-YGYCBVNBSA-N
MW3207.52 g/mol
LogP30.81
Rot. Bonds51

About butyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate

butyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate (PubChem CID 161160266) has the molecular formula C120H150F18N36O24S12 and a molecular weight of 3207.52 g/mol. Its IUPAC name is butyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate.

Molecular Properties

Compound Namebutyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate
PubChem CID161160266
Molecular FormulaC120H150F18N36O24S12
Molecular Weight3207.52 g/mol
Exact Mass3204.80
IUPAC Namebutyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate
SMILESCC(C)COC(=O)c1nnc(/N=N/c2cc3c(cc2NS(=O)(=O)C(F)(F)F)N(C(C)C)CCC3)s1.CC(C)OC(=O)c1nnc(/N=N/c2cc3c(cc2NS(=O)(=O)C(F)(F)F)N(C(C)C)CCC3)s1.CC(C)OC(=O)c1nnc(/N=N/c2cc3c(cc2NS(=O)(=O)CC(F)(F)F)N(C(C)C)CCC3)s1.CCCCOC(=O)c1nnc(/N=N/c2cc3c(cc2NS(=O)(=O)C(F)(F)F)N(C(C)C)CCC3)s1.CCCCOC(=O)c1nnc(/N=N/c2cc3c(cc2NS(=O)(=O)CC(F)(F)F)N(C(C)C)CCC3)s1.CCCOC(=O)c1nnc(/N=N/c2cc3c(cc2NS(=O)(=O)CC(F)(F)F)N(C(C)C)CCC3)s1
InChIInChI=1S/C21H27F3N6O4S2.4C20H25F3N6O4S2.C19H23F3N6O4S2/c1-4-5-9-34-19(31)18-26-28-20(35-18)27-25-15-10-14-7-6-8-30(13(2)3)17(14)11-16(15)29-36(32,33)12-21(22,23)24;1-11(2)29-7-5-6-13-8-14(15(9-16(13)29)28-35(31,32)10-20(21,22)23)24-26-19-27-25-17(34-19)18(30)33-12(3)4;1-11(2)10-33-18(30)17-25-27-19(34-17)26-24-14-8-13-6-5-7-29(12(3)4)16(13)9-15(14)28-35(31,32)20(21,22)23;1-4-8-33-18(30)17-25-27-19(34-17)26-24-14-9-13-6-5-7-29(12(2)3)16(13)10-15(14)28-35(31,32)11-20(21,22)23;1-4-5-9-33-18(30)17-25-27-19(34-17)26-24-14-10-13-7-6-8-29(12(2)3)16(13)11-15(14)28-35(31,32)20(21,22)23;1-10(2)28-7-5-6-12-8-13(14(9-15(12)28)27-34(30,31)19(20,21)22)23-25-18-26-24-16(33-18)17(29)32-11(3)4/h10-11,13,29H,4-9,12H2,1-3H3;2*8-9,11-12,28H,5-7,10H2,1-4H3;9-10,12,28H,4-8,11H2,1-3H3;10-12,28H,4-9H2,1-3H3;8-11,27H,5-7H2,1-4H3/b27-25+;4*26-24+;25-23+
InChIKeyUPVFATYKYCYIFB-YGYCBVNBSA-N
XLogP30.81
TPSA757.26 Ų
H-Bond Donors6
H-Bond Acceptors60
Rotatable Bonds51
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003207.52
LogP ≤ 530.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze butyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of butyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate?
The IUPAC name of butyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate (CID 161160266) is butyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate.
What is the SMILES notation for butyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate?
The canonical SMILES for butyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate is CC(C)COC(=O)c1nnc(/N=N/c2cc3c(cc2NS(=O)(=O)C(F)(F)F)N(C(C)C)CCC3)s1.CC(C)OC(=O)c1nnc(/N=N/c2cc3c(cc2NS(=O)(=O)C(F)(F)F)N(C(C)C)CCC3)s1.CC(C)OC(=O)c1nnc(/N=N/c2cc3c(cc2NS(=O)(=O)CC(F)(F)F)N(C(C)C)CCC3)s1.CCCCOC(=O)c1nnc(/N=N/c2cc3c(cc2NS(=O)(=O)C(F)(F)F)N(C(C)C)CCC3)s1.CCCCOC(=O)c1nnc(/N=N/c2cc3c(cc2NS(=O)(=O)CC(F)(F)F)N(C(C)C)CCC3)s1.CCCOC(=O)c1nnc(/N=N/c2cc3c(cc2NS(=O)(=O)CC(F)(F)F)N(C(C)C)CCC3)s1.
What is the InChIKey of butyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate?
The InChIKey is UPVFATYKYCYIFB-YGYCBVNBSA-N. The full InChI is InChI=1S/C21H27F3N6O4S2.4C20H25F3N6O4S2.C19H23F3N6O4S2/c1-4-5-9-34-19(31)18-26-28-20(35-18)27-25-15-10-14-7-6-8-30(13(2)3)17(14)11-16(15)29-36(32,33)12-21(22,23)24;1-11(2)29-7-5-6-13-8-14(15(9-16(13)29)28-35(31,32)10-20(21,22)23)24-26-19-27-25-17(34-19)18(30)33-12(3)4;1-11(2)10-33-18(30)17-25-27-19(34-17)26-24-14-8-13-6-5-7-29(12(3)4)16(13)9-15(14)28-35(31,32)20(21,22)23;1-4-8-33-18(30)17-25-27-19(34-17)26-24-14-9-13-6-5-7-29(12(2)3)16(13)10-15(14)28-35(31,32)11-20(21,22)23;1-4-5-9-33-18(30)17-25-27-19(34-17)26-24-14-10-13-7-6-8-29(12(2)3)16(13)11-15(14)28-35(31,32)20(21,22)23;1-10(2)28-7-5-6-12-8-13(14(9-15(12)28)27-34(30,31)19(20,21)22)23-25-18-26-24-16(33-18)17(29)32-11(3)4/h10-11,13,29H,4-9,12H2,1-3H3;2*8-9,11-12,28H,5-7,10H2,1-4H3;9-10,12,28H,4-8,11H2,1-3H3;10-12,28H,4-9H2,1-3H3;8-11,27H,5-7H2,1-4H3/b27-25+;4*26-24+;25-23+.
What are the key properties of butyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate?
butyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate has a molecular weight of 3207.52 g/mol, XLogP of 30.81, 51 rotatable bonds, 6 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propan-2-yl 5-[[1-propan-2-yl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;propyl 5-[[1-propan-2-yl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate is sourced from PubChem (CID 161160266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).