(2-butoxy-5-methylphenyl) 3-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;6-tert-butyl-2-[4-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[2-[[2-(4-methoxyphenoxy)-5-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]ethyl]-6-(2-phenoxyethoxy)-3H-pyrazolo[1,5-b][1,2,4]triazole;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-oxo-3,5-dihydropyrazolo[1,5-b][1,2,4]triazole-7-sulfonic acid;propane

C153H200F3N25O27S7 — CID 54504641

IUPAC(2-butoxy-5-methylphenyl) 3-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;6-tert-butyl-2-[4-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[2-[[2-(4-methoxyphenoxy)-5-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]ethyl]-6-(2-phenoxyethoxy)-3H-pyrazolo[1,5-b][1,2,4]triazole;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-oxo-3,5-dihydropyrazolo[1,5-b][1,2,4]triazole-7-sulfonic acid;propane
SMILESCCC.CCCCCCCCCCC(Oc1ccc(S(=O)Oc2ccc(O)cc2)cc1)C(=O)Nc1ccc(CCCc2nnc3cc(C)[nH]n23)cc1.CCCCCCCCOc1ccc(C)cc1OS(=O)NCC(C)c1nc2c(S(=O)(=O)O)c(=O)[nH]n2[nH]1.CCCCCCCCOc1ccc(C)cc1OS(=O)Nc1ccc(-c2nc3cc(C(C)(C)C)[nH]n3n2)cc1.CCCCCCCCOc1ccc(C)cc1OS(=O)Nc1ccc(Oc2ccc(OC)cc2)c(OS(=O)NCCc2nc3cc(OCCOc4ccccc4)nn3[nH]2)c1.CCCCOc1ccc(C)cc1OS(=O)CCCc1nc2cc(C(F)(F)F)[nH]n2n1
InChIInChI=1S/C42H50N6O9S2.C38H47N5O5S.C29H39N5O3S.C22H33N5O7S2.C19H23F3N4O3S.C3H8/c1-4-5-6-7-8-12-25-53-36-21-15-31(2)28-38(36)57-59(50)47-32-16-22-37(55-35-19-17-33(51-3)18-20-35)39(29-32)56-58(49)43-24-23-40-44-41-30-42(46-48(41)45-40)54-27-26-52-34-13-10-9-11-14-34;1-3-4-5-6-7-8-9-10-13-35(47-32-23-25-34(26-24-32)49(46)48-33-21-19-31(44)20-22-33)38(45)39-30-17-15-29(16-18-30)12-11-14-36-40-41-37-27-28(2)42-43(36)37;1-6-7-8-9-10-11-18-36-24-17-12-21(2)19-25(24)37-38(35)33-23-15-13-22(14-16-23)28-30-27-20-26(29(3,4)5)31-34(27)32-28;1-4-5-6-7-8-9-12-33-17-11-10-15(2)13-18(17)34-35(29)23-14-16(3)20-24-21-19(36(30,31)32)22(28)26-27(21)25-20;1-3-4-9-28-14-8-7-13(2)11-15(14)29-30(27)10-5-6-17-23-18-12-16(19(20,21)22)24-26(18)25-17;1-3-2/h9-11,13-22,28-30,43,47H,4-8,12,23-27H2,1-3H3,(H,44,45);15-27,35,42,44H,3-14H2,1-2H3,(H,39,45);12-17,19-20,31,33H,6-11,18H2,1-5H3;10-11,13,16,23H,4-9,12,14H2,1-3H3,(H,24,25)(H,26,28)(H,30,31,32);7-8,11-12,24H,3-6,9-10H2,1-2H3;3H2,1-2H3
InChIKeyMFLUBCQMKRDIBD-UHFFFAOYSA-N
MW3102.89 g/mol
LogP32.28
Rot. Bonds84

About (2-butoxy-5-methylphenyl) 3-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;6-tert-butyl-2-[4-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[2-[[2-(4-methoxyphenoxy)-5-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]ethyl]-6-(2-phenoxyethoxy)-3H-pyrazolo[1,5-b][1,2,4]triazole;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-oxo-3,5-dihydropyrazolo[1,5-b][1,2,4]triazole-7-sulfonic acid;propane

(2-butoxy-5-methylphenyl) 3-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;6-tert-butyl-2-[4-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[2-[[2-(4-methoxyphenoxy)-5-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]ethyl]-6-(2-phenoxyethoxy)-3H-pyrazolo[1,5-b][1,2,4]triazole;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-oxo-3,5-dihydropyrazolo[1,5-b][1,2,4]triazole-7-sulfonic acid;propane (PubChem CID 54504641) has the molecular formula C153H200F3N25O27S7 and a molecular weight of 3102.89 g/mol. Its IUPAC name is (2-butoxy-5-methylphenyl) 3-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;6-tert-butyl-2-[4-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[2-[[2-(4-methoxyphenoxy)-5-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]ethyl]-6-(2-phenoxyethoxy)-3H-pyrazolo[1,5-b][1,2,4]triazole;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-oxo-3,5-dihydropyrazolo[1,5-b][1,2,4]triazole-7-sulfonic acid;propane.

Molecular Properties

Compound Name(2-butoxy-5-methylphenyl) 3-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;6-tert-butyl-2-[4-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[2-[[2-(4-methoxyphenoxy)-5-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]ethyl]-6-(2-phenoxyethoxy)-3H-pyrazolo[1,5-b][1,2,4]triazole;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-oxo-3,5-dihydropyrazolo[1,5-b][1,2,4]triazole-7-sulfonic acid;propane
PubChem CID54504641
Molecular FormulaC153H200F3N25O27S7
Molecular Weight3102.89 g/mol
Exact Mass3100.30
IUPAC Name(2-butoxy-5-methylphenyl) 3-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;6-tert-butyl-2-[4-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[2-[[2-(4-methoxyphenoxy)-5-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]ethyl]-6-(2-phenoxyethoxy)-3H-pyrazolo[1,5-b][1,2,4]triazole;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-oxo-3,5-dihydropyrazolo[1,5-b][1,2,4]triazole-7-sulfonic acid;propane
SMILESCCC.CCCCCCCCCCC(Oc1ccc(S(=O)Oc2ccc(O)cc2)cc1)C(=O)Nc1ccc(CCCc2nnc3cc(C)[nH]n23)cc1.CCCCCCCCOc1ccc(C)cc1OS(=O)NCC(C)c1nc2c(S(=O)(=O)O)c(=O)[nH]n2[nH]1.CCCCCCCCOc1ccc(C)cc1OS(=O)Nc1ccc(-c2nc3cc(C(C)(C)C)[nH]n3n2)cc1.CCCCCCCCOc1ccc(C)cc1OS(=O)Nc1ccc(Oc2ccc(OC)cc2)c(OS(=O)NCCc2nc3cc(OCCOc4ccccc4)nn3[nH]2)c1.CCCCOc1ccc(C)cc1OS(=O)CCCc1nc2cc(C(F)(F)F)[nH]n2n1
InChIInChI=1S/C42H50N6O9S2.C38H47N5O5S.C29H39N5O3S.C22H33N5O7S2.C19H23F3N4O3S.C3H8/c1-4-5-6-7-8-12-25-53-36-21-15-31(2)28-38(36)57-59(50)47-32-16-22-37(55-35-19-17-33(51-3)18-20-35)39(29-32)56-58(49)43-24-23-40-44-41-30-42(46-48(41)45-40)54-27-26-52-34-13-10-9-11-14-34;1-3-4-5-6-7-8-9-10-13-35(47-32-23-25-34(26-24-32)49(46)48-33-21-19-31(44)20-22-33)38(45)39-30-17-15-29(16-18-30)12-11-14-36-40-41-37-27-28(2)42-43(36)37;1-6-7-8-9-10-11-18-36-24-17-12-21(2)19-25(24)37-38(35)33-23-15-13-22(14-16-23)28-30-27-20-26(29(3,4)5)31-34(27)32-28;1-4-5-6-7-8-9-12-33-17-11-10-15(2)13-18(17)34-35(29)23-14-16(3)20-24-21-19(36(30,31)32)22(28)26-27(21)25-20;1-3-4-9-28-14-8-7-13(2)11-15(14)29-30(27)10-5-6-17-23-18-12-16(19(20,21)22)24-26(18)25-17;1-3-2/h9-11,13-22,28-30,43,47H,4-8,12,23-27H2,1-3H3,(H,44,45);15-27,35,42,44H,3-14H2,1-2H3,(H,39,45);12-17,19-20,31,33H,6-11,18H2,1-5H3;10-11,13,16,23H,4-9,12,14H2,1-3H3,(H,24,25)(H,26,28)(H,30,31,32);7-8,11-12,24H,3-6,9-10H2,1-2H3;3H2,1-2H3
InChIKeyMFLUBCQMKRDIBD-UHFFFAOYSA-N
XLogP32.28
TPSA642.56 Ų
H-Bond Donors13
H-Bond Acceptors40
Rotatable Bonds84
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003102.89
LogP ≤ 532.28
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (2-butoxy-5-methylphenyl) 3-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;6-tert-butyl-2-[4-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[2-[[2-(4-methoxyphenoxy)-5-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]ethyl]-6-(2-phenoxyethoxy)-3H-pyrazolo[1,5-b][1,2,4]triazole;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-oxo-3,5-dihydropyrazolo[1,5-b][1,2,4]triazole-7-sulfonic acid;propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-butoxy-5-methylphenyl) 3-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;6-tert-butyl-2-[4-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[2-[[2-(4-methoxyphenoxy)-5-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]ethyl]-6-(2-phenoxyethoxy)-3H-pyrazolo[1,5-b][1,2,4]triazole;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-oxo-3,5-dihydropyrazolo[1,5-b][1,2,4]triazole-7-sulfonic acid;propane?
The IUPAC name of (2-butoxy-5-methylphenyl) 3-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;6-tert-butyl-2-[4-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[2-[[2-(4-methoxyphenoxy)-5-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]ethyl]-6-(2-phenoxyethoxy)-3H-pyrazolo[1,5-b][1,2,4]triazole;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-oxo-3,5-dihydropyrazolo[1,5-b][1,2,4]triazole-7-sulfonic acid;propane (CID 54504641) is (2-butoxy-5-methylphenyl) 3-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;6-tert-butyl-2-[4-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[2-[[2-(4-methoxyphenoxy)-5-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]ethyl]-6-(2-phenoxyethoxy)-3H-pyrazolo[1,5-b][1,2,4]triazole;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-oxo-3,5-dihydropyrazolo[1,5-b][1,2,4]triazole-7-sulfonic acid;propane.
What is the SMILES notation for (2-butoxy-5-methylphenyl) 3-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;6-tert-butyl-2-[4-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[2-[[2-(4-methoxyphenoxy)-5-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]ethyl]-6-(2-phenoxyethoxy)-3H-pyrazolo[1,5-b][1,2,4]triazole;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-oxo-3,5-dihydropyrazolo[1,5-b][1,2,4]triazole-7-sulfonic acid;propane?
The canonical SMILES for (2-butoxy-5-methylphenyl) 3-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;6-tert-butyl-2-[4-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[2-[[2-(4-methoxyphenoxy)-5-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]ethyl]-6-(2-phenoxyethoxy)-3H-pyrazolo[1,5-b][1,2,4]triazole;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-oxo-3,5-dihydropyrazolo[1,5-b][1,2,4]triazole-7-sulfonic acid;propane is CCC.CCCCCCCCCCC(Oc1ccc(S(=O)Oc2ccc(O)cc2)cc1)C(=O)Nc1ccc(CCCc2nnc3cc(C)[nH]n23)cc1.CCCCCCCCOc1ccc(C)cc1OS(=O)NCC(C)c1nc2c(S(=O)(=O)O)c(=O)[nH]n2[nH]1.CCCCCCCCOc1ccc(C)cc1OS(=O)Nc1ccc(-c2nc3cc(C(C)(C)C)[nH]n3n2)cc1.CCCCCCCCOc1ccc(C)cc1OS(=O)Nc1ccc(Oc2ccc(OC)cc2)c(OS(=O)NCCc2nc3cc(OCCOc4ccccc4)nn3[nH]2)c1.CCCCOc1ccc(C)cc1OS(=O)CCCc1nc2cc(C(F)(F)F)[nH]n2n1.
What is the InChIKey of (2-butoxy-5-methylphenyl) 3-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;6-tert-butyl-2-[4-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[2-[[2-(4-methoxyphenoxy)-5-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]ethyl]-6-(2-phenoxyethoxy)-3H-pyrazolo[1,5-b][1,2,4]triazole;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-oxo-3,5-dihydropyrazolo[1,5-b][1,2,4]triazole-7-sulfonic acid;propane?
The InChIKey is MFLUBCQMKRDIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H50N6O9S2.C38H47N5O5S.C29H39N5O3S.C22H33N5O7S2.C19H23F3N4O3S.C3H8/c1-4-5-6-7-8-12-25-53-36-21-15-31(2)28-38(36)57-59(50)47-32-16-22-37(55-35-19-17-33(51-3)18-20-35)39(29-32)56-58(49)43-24-23-40-44-41-30-42(46-48(41)45-40)54-27-26-52-34-13-10-9-11-14-34;1-3-4-5-6-7-8-9-10-13-35(47-32-23-25-34(26-24-32)49(46)48-33-21-19-31(44)20-22-33)38(45)39-30-17-15-29(16-18-30)12-11-14-36-40-41-37-27-28(2)42-43(36)37;1-6-7-8-9-10-11-18-36-24-17-12-21(2)19-25(24)37-38(35)33-23-15-13-22(14-16-23)28-30-27-20-26(29(3,4)5)31-34(27)32-28;1-4-5-6-7-8-9-12-33-17-11-10-15(2)13-18(17)34-35(29)23-14-16(3)20-24-21-19(36(30,31)32)22(28)26-27(21)25-20;1-3-4-9-28-14-8-7-13(2)11-15(14)29-30(27)10-5-6-17-23-18-12-16(19(20,21)22)24-26(18)25-17;1-3-2/h9-11,13-22,28-30,43,47H,4-8,12,23-27H2,1-3H3,(H,44,45);15-27,35,42,44H,3-14H2,1-2H3,(H,39,45);12-17,19-20,31,33H,6-11,18H2,1-5H3;10-11,13,16,23H,4-9,12,14H2,1-3H3,(H,24,25)(H,26,28)(H,30,31,32);7-8,11-12,24H,3-6,9-10H2,1-2H3;3H2,1-2H3.
What are the key properties of (2-butoxy-5-methylphenyl) 3-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;6-tert-butyl-2-[4-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[2-[[2-(4-methoxyphenoxy)-5-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]ethyl]-6-(2-phenoxyethoxy)-3H-pyrazolo[1,5-b][1,2,4]triazole;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-oxo-3,5-dihydropyrazolo[1,5-b][1,2,4]triazole-7-sulfonic acid;propane?
(2-butoxy-5-methylphenyl) 3-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;6-tert-butyl-2-[4-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[2-[[2-(4-methoxyphenoxy)-5-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]ethyl]-6-(2-phenoxyethoxy)-3H-pyrazolo[1,5-b][1,2,4]triazole;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-oxo-3,5-dihydropyrazolo[1,5-b][1,2,4]triazole-7-sulfonic acid;propane has a molecular weight of 3102.89 g/mol, XLogP of 32.28, 84 rotatable bonds, 13 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butoxy-5-methylphenyl) 3-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;6-tert-butyl-2-[4-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[2-[[2-(4-methoxyphenoxy)-5-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]ethyl]-6-(2-phenoxyethoxy)-3H-pyrazolo[1,5-b][1,2,4]triazole;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-oxo-3,5-dihydropyrazolo[1,5-b][1,2,4]triazole-7-sulfonic acid;propane is sourced from PubChem (CID 54504641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).