butan-2-yl 5-[[1-butyl-2-methyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[1-butyl-2-methyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;1,1,2,2,2-pentafluoroethyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate

C137H179F23N36O24S12 — CID 162230697

IUPACbutan-2-yl 5-[[1-butyl-2-methyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[1-butyl-2-methyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;1,1,2,2,2-pentafluoroethyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate
SMILESCCCCN1c2cc(NS(=O)(=O)C(F)(F)F)c(/N=N/c3nnc(C(=O)OC(C)(C)C)s3)cc2CCC1CC.CCCCN1c2cc(NS(=O)(=O)C(F)(F)F)c(/N=N/c3nnc(C(=O)OC(C)CC)s3)cc2CCC1C.CCCCN1c2cc(NS(=O)(=O)C(F)(F)F)c(/N=N/c3nnc(C(=O)OC(F)(F)C(F)(F)F)s3)cc2CCC1CC.CCCCN1c2cc(NS(=O)(=O)CC(F)(F)F)c(/N=N/c3nnc(C(=O)OC(C)(C)C)s3)cc2CCC1CC.CCCCN1c2cc(NS(=O)(=O)CC(F)(F)F)c(/N=N/c3nnc(C(=O)OC(C)CC)s3)cc2CCC1C.CCCCN1c2cc(NS(=O)(=O)CC(F)(F)F)c(/N=N/c3nnc(C(=O)OCC(C)C)s3)cc2CCC1CC
InChIInChI=1S/2C24H33F3N6O4S2.2C23H31F3N6O4S2.C22H29F3N6O4S2.C21H22F8N6O4S2/c1-6-8-11-33-16(7-2)10-9-15-12-17(18(13-19(15)33)32-39(35,36)14-24(25,26)27)28-30-22-31-29-20(38-22)21(34)37-23(3,4)5;1-5-7-10-33-17(6-2)9-8-16-11-18(19(12-20(16)33)32-39(35,36)14-24(25,26)27)28-30-23-31-29-21(38-23)22(34)37-13-15(3)4;1-6-8-11-32-15(7-2)10-9-14-12-16(17(13-18(14)32)31-38(34,35)23(24,25)26)27-29-21-30-28-19(37-21)20(33)36-22(3,4)5;1-5-7-10-32-14(3)8-9-16-11-17(18(12-19(16)32)31-38(34,35)13-23(24,25)26)27-29-22-30-28-20(37-22)21(33)36-15(4)6-2;1-5-7-10-31-13(3)8-9-15-11-16(17(12-18(15)31)30-37(33,34)22(23,24)25)26-28-21-29-27-19(36-21)20(32)35-14(4)6-2;1-3-5-8-35-12(4-2)7-6-11-9-13(14(10-15(11)35)34-41(37,38)21(27,28)29)30-32-18-33-31-16(40-18)17(36)39-20(25,26)19(22,23)24/h12-13,16,32H,6-11,14H2,1-5H3;11-12,15,17,32H,5-10,13-14H2,1-4H3;12-13,15,31H,6-11H2,1-5H3;11-12,14-15,31H,5-10,13H2,1-4H3;11-14,30H,5-10H2,1-4H3;9-10,12,34H,3-8H2,1-2H3/b2*30-28+;2*29-27+;28-26+;32-30+
InChIKeyZVJONBORHQJCGB-YPDOYGINSA-N
MW3535.92 g/mol
LogP38.57
Rot. Bonds62

About butan-2-yl 5-[[1-butyl-2-methyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[1-butyl-2-methyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;1,1,2,2,2-pentafluoroethyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate

butan-2-yl 5-[[1-butyl-2-methyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[1-butyl-2-methyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;1,1,2,2,2-pentafluoroethyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate (PubChem CID 162230697) has the molecular formula C137H179F23N36O24S12 and a molecular weight of 3535.92 g/mol. Its IUPAC name is butan-2-yl 5-[[1-butyl-2-methyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[1-butyl-2-methyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;1,1,2,2,2-pentafluoroethyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate.

Molecular Properties

Compound Namebutan-2-yl 5-[[1-butyl-2-methyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[1-butyl-2-methyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;1,1,2,2,2-pentafluoroethyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate
PubChem CID162230697
Molecular FormulaC137H179F23N36O24S12
Molecular Weight3535.92 g/mol
Exact Mass3533.02
IUPAC Namebutan-2-yl 5-[[1-butyl-2-methyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[1-butyl-2-methyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;1,1,2,2,2-pentafluoroethyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate
SMILESCCCCN1c2cc(NS(=O)(=O)C(F)(F)F)c(/N=N/c3nnc(C(=O)OC(C)(C)C)s3)cc2CCC1CC.CCCCN1c2cc(NS(=O)(=O)C(F)(F)F)c(/N=N/c3nnc(C(=O)OC(C)CC)s3)cc2CCC1C.CCCCN1c2cc(NS(=O)(=O)C(F)(F)F)c(/N=N/c3nnc(C(=O)OC(F)(F)C(F)(F)F)s3)cc2CCC1CC.CCCCN1c2cc(NS(=O)(=O)CC(F)(F)F)c(/N=N/c3nnc(C(=O)OC(C)(C)C)s3)cc2CCC1CC.CCCCN1c2cc(NS(=O)(=O)CC(F)(F)F)c(/N=N/c3nnc(C(=O)OC(C)CC)s3)cc2CCC1C.CCCCN1c2cc(NS(=O)(=O)CC(F)(F)F)c(/N=N/c3nnc(C(=O)OCC(C)C)s3)cc2CCC1CC
InChIInChI=1S/2C24H33F3N6O4S2.2C23H31F3N6O4S2.C22H29F3N6O4S2.C21H22F8N6O4S2/c1-6-8-11-33-16(7-2)10-9-15-12-17(18(13-19(15)33)32-39(35,36)14-24(25,26)27)28-30-22-31-29-20(38-22)21(34)37-23(3,4)5;1-5-7-10-33-17(6-2)9-8-16-11-18(19(12-20(16)33)32-39(35,36)14-24(25,26)27)28-30-23-31-29-21(38-23)22(34)37-13-15(3)4;1-6-8-11-32-15(7-2)10-9-14-12-16(17(13-18(14)32)31-38(34,35)23(24,25)26)27-29-21-30-28-19(37-21)20(33)36-22(3,4)5;1-5-7-10-32-14(3)8-9-16-11-17(18(12-19(16)32)31-38(34,35)13-23(24,25)26)27-29-22-30-28-20(37-22)21(33)36-15(4)6-2;1-5-7-10-31-13(3)8-9-15-11-16(17(12-18(15)31)30-37(33,34)22(23,24)25)26-28-21-29-27-19(36-21)20(32)35-14(4)6-2;1-3-5-8-35-12(4-2)7-6-11-9-13(14(10-15(11)35)34-41(37,38)21(27,28)29)30-32-18-33-31-16(40-18)17(36)39-20(25,26)19(22,23)24/h12-13,16,32H,6-11,14H2,1-5H3;11-12,15,17,32H,5-10,13-14H2,1-4H3;12-13,15,31H,6-11H2,1-5H3;11-12,14-15,31H,5-10,13H2,1-4H3;11-14,30H,5-10H2,1-4H3;9-10,12,34H,3-8H2,1-2H3/b2*30-28+;2*29-27+;28-26+;32-30+
InChIKeyZVJONBORHQJCGB-YPDOYGINSA-N
XLogP38.57
TPSA757.26 Ų
H-Bond Donors6
H-Bond Acceptors60
Rotatable Bonds62
Heavy Atoms232
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003535.92
LogP ≤ 538.57
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': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl 5-[[1-butyl-2-methyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[1-butyl-2-methyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;1,1,2,2,2-pentafluoroethyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate?
The IUPAC name of butan-2-yl 5-[[1-butyl-2-methyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[1-butyl-2-methyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;1,1,2,2,2-pentafluoroethyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate (CID 162230697) is butan-2-yl 5-[[1-butyl-2-methyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[1-butyl-2-methyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;1,1,2,2,2-pentafluoroethyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate.
What is the SMILES notation for butan-2-yl 5-[[1-butyl-2-methyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[1-butyl-2-methyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;1,1,2,2,2-pentafluoroethyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate?
The canonical SMILES for butan-2-yl 5-[[1-butyl-2-methyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[1-butyl-2-methyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;1,1,2,2,2-pentafluoroethyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate is CCCCN1c2cc(NS(=O)(=O)C(F)(F)F)c(/N=N/c3nnc(C(=O)OC(C)(C)C)s3)cc2CCC1CC.CCCCN1c2cc(NS(=O)(=O)C(F)(F)F)c(/N=N/c3nnc(C(=O)OC(C)CC)s3)cc2CCC1C.CCCCN1c2cc(NS(=O)(=O)C(F)(F)F)c(/N=N/c3nnc(C(=O)OC(F)(F)C(F)(F)F)s3)cc2CCC1CC.CCCCN1c2cc(NS(=O)(=O)CC(F)(F)F)c(/N=N/c3nnc(C(=O)OC(C)(C)C)s3)cc2CCC1CC.CCCCN1c2cc(NS(=O)(=O)CC(F)(F)F)c(/N=N/c3nnc(C(=O)OC(C)CC)s3)cc2CCC1C.CCCCN1c2cc(NS(=O)(=O)CC(F)(F)F)c(/N=N/c3nnc(C(=O)OCC(C)C)s3)cc2CCC1CC.
What is the InChIKey of butan-2-yl 5-[[1-butyl-2-methyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[1-butyl-2-methyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;1,1,2,2,2-pentafluoroethyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate?
The InChIKey is ZVJONBORHQJCGB-YPDOYGINSA-N. The full InChI is InChI=1S/2C24H33F3N6O4S2.2C23H31F3N6O4S2.C22H29F3N6O4S2.C21H22F8N6O4S2/c1-6-8-11-33-16(7-2)10-9-15-12-17(18(13-19(15)33)32-39(35,36)14-24(25,26)27)28-30-22-31-29-20(38-22)21(34)37-23(3,4)5;1-5-7-10-33-17(6-2)9-8-16-11-18(19(12-20(16)33)32-39(35,36)14-24(25,26)27)28-30-23-31-29-21(38-23)22(34)37-13-15(3)4;1-6-8-11-32-15(7-2)10-9-14-12-16(17(13-18(14)32)31-38(34,35)23(24,25)26)27-29-21-30-28-19(37-21)20(33)36-22(3,4)5;1-5-7-10-32-14(3)8-9-16-11-17(18(12-19(16)32)31-38(34,35)13-23(24,25)26)27-29-22-30-28-20(37-22)21(33)36-15(4)6-2;1-5-7-10-31-13(3)8-9-15-11-16(17(12-18(15)31)30-37(33,34)22(23,24)25)26-28-21-29-27-19(36-21)20(32)35-14(4)6-2;1-3-5-8-35-12(4-2)7-6-11-9-13(14(10-15(11)35)34-41(37,38)21(27,28)29)30-32-18-33-31-16(40-18)17(36)39-20(25,26)19(22,23)24/h12-13,16,32H,6-11,14H2,1-5H3;11-12,15,17,32H,5-10,13-14H2,1-4H3;12-13,15,31H,6-11H2,1-5H3;11-12,14-15,31H,5-10,13H2,1-4H3;11-14,30H,5-10H2,1-4H3;9-10,12,34H,3-8H2,1-2H3/b2*30-28+;2*29-27+;28-26+;32-30+.
What are the key properties of butan-2-yl 5-[[1-butyl-2-methyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[1-butyl-2-methyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;1,1,2,2,2-pentafluoroethyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate?
butan-2-yl 5-[[1-butyl-2-methyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[1-butyl-2-methyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;1,1,2,2,2-pentafluoroethyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate has a molecular weight of 3535.92 g/mol, XLogP of 38.57, 62 rotatable bonds, 6 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 5-[[1-butyl-2-methyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[1-butyl-2-methyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[1-butyl-2-ethyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;1,1,2,2,2-pentafluoroethyl 5-[[1-butyl-2-ethyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate is sourced from PubChem (CID 162230697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).