sodium;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]propyl]morpholine;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfonyl-1,2,4-triazol-4-yl]propyl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one;iodomethane;methane;2-(methoxymethoxy)-4-methyl-5-propan-2-ylbenzohydrazide;O-phenyl N-(3-morpholin-4-ylpropyl)carbamothioate;hydroxide

C151H236IN24NaO39S5 — CID 162115453

IUPACsodium;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]propyl]morpholine;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfonyl-1,2,4-triazol-4-yl]propyl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one;iodomethane;methane;2-(methoxymethoxy)-4-methyl-5-propan-2-ylbenzohydrazide;O-phenyl N-(3-morpholin-4-ylpropyl)carbamothioate;hydroxide
SMILESC.CC(C)c1cc(-c2n[nH]c(=O)n2CCCN2CCOCC2)c(O)cc1O.CI.COCOc1cc(C)c(C(C)C)cc1C(=O)NN.COCOc1cc(OCOC)c(C(C)C)cc1-c1n[nH]c(=S)n1CCCN1CCOCC1.COCOc1cc(OCOC)c(C(C)C)cc1-c1nnc(S(C)(=O)=O)n1CCCN1CCOCC1.COCOc1cc(OCOC)c(C(C)C)cc1-c1nnc(SC)n1CCCN1CCOCC1.COCOc1cc(OCOC)c(C(C)C)cc1C(=O)NNC(=S)NCCCN1CCOCC1.COCOc1cc(OCOC)c(C(C)C)cc1C(=O)O.S=C(NCCCN1CCOCC1)Oc1ccccc1.[Na+].[OH-]
InChIInChI=1S/C23H36N4O7S.C23H36N4O5S.C22H36N4O6S.C22H34N4O5S.C18H26N4O4.C14H20N2O2S.C14H20O6.C13H20N2O3.CH3I.CH4.Na.H2O/c1-17(2)18-13-19(21(34-16-31-4)14-20(18)33-15-30-3)22-24-25-23(35(5,28)29)27(22)8-6-7-26-9-11-32-12-10-26;1-17(2)18-13-19(21(32-16-29-4)14-20(18)31-15-28-3)22-24-25-23(33-5)27(22)8-6-7-26-9-11-30-12-10-26;1-16(2)17-12-18(20(32-15-29-4)13-19(17)31-14-28-3)21(27)24-25-22(33)23-6-5-7-26-8-10-30-11-9-26;1-16(2)17-12-18(20(31-15-28-4)13-19(17)30-14-27-3)21-23-24-22(32)26(21)7-5-6-25-8-10-29-11-9-25;1-12(2)13-10-14(16(24)11-15(13)23)17-19-20-18(25)22(17)5-3-4-21-6-8-26-9-7-21;19-14(18-13-5-2-1-3-6-13)15-7-4-8-16-9-11-17-12-10-16;1-9(2)10-5-11(14(15)16)13(20-8-18-4)6-12(10)19-7-17-3;1-8(2)10-6-11(13(16)15-14)12(5-9(10)3)18-7-17-4;1-2;;;/h13-14,17H,6-12,15-16H2,1-5H3;13-14,17H,6-12,15-16H2,1-5H3;12-13,16H,5-11,14-15H2,1-4H3,(H,24,27)(H2,23,25,33);12-13,16H,5-11,14-15H2,1-4H3,(H,24,32);10-12,23-24H,3-9H2,1-2H3,(H,20,25);1-3,5-6H,4,7-12H2,(H,15,19);5-6,9H,7-8H2,1-4H3,(H,15,16);5-6,8H,7,14H2,1-4H3,(H,15,16);1H3;1H4;;1H2/q;;;;;;;;;;+1;/p-1
InChIKeyZGRYELLFHIQKFF-UHFFFAOYSA-M
MW3321.91 g/mol
LogP16.51
Rot. Bonds74

About sodium;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]propyl]morpholine;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfonyl-1,2,4-triazol-4-yl]propyl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one;iodomethane;methane;2-(methoxymethoxy)-4-methyl-5-propan-2-ylbenzohydrazide;O-phenyl N-(3-morpholin-4-ylpropyl)carbamothioate;hydroxide

sodium;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]propyl]morpholine;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfonyl-1,2,4-triazol-4-yl]propyl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one;iodomethane;methane;2-(methoxymethoxy)-4-methyl-5-propan-2-ylbenzohydrazide;O-phenyl N-(3-morpholin-4-ylpropyl)carbamothioate;hydroxide (PubChem CID 162115453) has the molecular formula C151H236IN24NaO39S5 and a molecular weight of 3321.91 g/mol. Its IUPAC name is sodium;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]propyl]morpholine;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfonyl-1,2,4-triazol-4-yl]propyl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one;iodomethane;methane;2-(methoxymethoxy)-4-methyl-5-propan-2-ylbenzohydrazide;O-phenyl N-(3-morpholin-4-ylpropyl)carbamothioate;hydroxide.

Molecular Properties

Compound Namesodium;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]propyl]morpholine;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfonyl-1,2,4-triazol-4-yl]propyl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one;iodomethane;methane;2-(methoxymethoxy)-4-methyl-5-propan-2-ylbenzohydrazide;O-phenyl N-(3-morpholin-4-ylpropyl)carbamothioate;hydroxide
PubChem CID162115453
Molecular FormulaC151H236IN24NaO39S5
Molecular Weight3321.91 g/mol
Exact Mass3319.48
IUPAC Namesodium;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]propyl]morpholine;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfonyl-1,2,4-triazol-4-yl]propyl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one;iodomethane;methane;2-(methoxymethoxy)-4-methyl-5-propan-2-ylbenzohydrazide;O-phenyl N-(3-morpholin-4-ylpropyl)carbamothioate;hydroxide
SMILESC.CC(C)c1cc(-c2n[nH]c(=O)n2CCCN2CCOCC2)c(O)cc1O.CI.COCOc1cc(C)c(C(C)C)cc1C(=O)NN.COCOc1cc(OCOC)c(C(C)C)cc1-c1n[nH]c(=S)n1CCCN1CCOCC1.COCOc1cc(OCOC)c(C(C)C)cc1-c1nnc(S(C)(=O)=O)n1CCCN1CCOCC1.COCOc1cc(OCOC)c(C(C)C)cc1-c1nnc(SC)n1CCCN1CCOCC1.COCOc1cc(OCOC)c(C(C)C)cc1C(=O)NNC(=S)NCCCN1CCOCC1.COCOc1cc(OCOC)c(C(C)C)cc1C(=O)O.S=C(NCCCN1CCOCC1)Oc1ccccc1.[Na+].[OH-]
InChIInChI=1S/C23H36N4O7S.C23H36N4O5S.C22H36N4O6S.C22H34N4O5S.C18H26N4O4.C14H20N2O2S.C14H20O6.C13H20N2O3.CH3I.CH4.Na.H2O/c1-17(2)18-13-19(21(34-16-31-4)14-20(18)33-15-30-3)22-24-25-23(35(5,28)29)27(22)8-6-7-26-9-11-32-12-10-26;1-17(2)18-13-19(21(32-16-29-4)14-20(18)31-15-28-3)22-24-25-23(33-5)27(22)8-6-7-26-9-11-30-12-10-26;1-16(2)17-12-18(20(32-15-29-4)13-19(17)31-14-28-3)21(27)24-25-22(33)23-6-5-7-26-8-10-30-11-9-26;1-16(2)17-12-18(20(31-15-28-4)13-19(17)30-14-27-3)21-23-24-22(32)26(21)7-5-6-25-8-10-29-11-9-25;1-12(2)13-10-14(16(24)11-15(13)23)17-19-20-18(25)22(17)5-3-4-21-6-8-26-9-7-21;19-14(18-13-5-2-1-3-6-13)15-7-4-8-16-9-11-17-12-10-16;1-9(2)10-5-11(14(15)16)13(20-8-18-4)6-12(10)19-7-17-3;1-8(2)10-6-11(13(16)15-14)12(5-9(10)3)18-7-17-4;1-2;;;/h13-14,17H,6-12,15-16H2,1-5H3;13-14,17H,6-12,15-16H2,1-5H3;12-13,16H,5-11,14-15H2,1-4H3,(H,24,27)(H2,23,25,33);12-13,16H,5-11,14-15H2,1-4H3,(H,24,32);10-12,23-24H,3-9H2,1-2H3,(H,20,25);1-3,5-6H,4,7-12H2,(H,15,19);5-6,9H,7-8H2,1-4H3,(H,15,16);5-6,8H,7,14H2,1-4H3,(H,15,16);1H3;1H4;;1H2/q;;;;;;;;;;+1;/p-1
InChIKeyZGRYELLFHIQKFF-UHFFFAOYSA-M
XLogP16.51
TPSA695.03 Ų
H-Bond Donors11
H-Bond Acceptors59
Rotatable Bonds74
Heavy Atoms221
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003321.91
LogP ≤ 516.51
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1059

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze sodium;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]propyl]morpholine;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfonyl-1,2,4-triazol-4-yl]propyl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one;iodomethane;methane;2-(methoxymethoxy)-4-methyl-5-propan-2-ylbenzohydrazide;O-phenyl N-(3-morpholin-4-ylpropyl)carbamothioate;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]propyl]morpholine;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfonyl-1,2,4-triazol-4-yl]propyl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one;iodomethane;methane;2-(methoxymethoxy)-4-methyl-5-propan-2-ylbenzohydrazide;O-phenyl N-(3-morpholin-4-ylpropyl)carbamothioate;hydroxide?
The IUPAC name of sodium;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]propyl]morpholine;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfonyl-1,2,4-triazol-4-yl]propyl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one;iodomethane;methane;2-(methoxymethoxy)-4-methyl-5-propan-2-ylbenzohydrazide;O-phenyl N-(3-morpholin-4-ylpropyl)carbamothioate;hydroxide (CID 162115453) is sodium;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]propyl]morpholine;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfonyl-1,2,4-triazol-4-yl]propyl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one;iodomethane;methane;2-(methoxymethoxy)-4-methyl-5-propan-2-ylbenzohydrazide;O-phenyl N-(3-morpholin-4-ylpropyl)carbamothioate;hydroxide.
What is the SMILES notation for sodium;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]propyl]morpholine;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfonyl-1,2,4-triazol-4-yl]propyl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one;iodomethane;methane;2-(methoxymethoxy)-4-methyl-5-propan-2-ylbenzohydrazide;O-phenyl N-(3-morpholin-4-ylpropyl)carbamothioate;hydroxide?
The canonical SMILES for sodium;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]propyl]morpholine;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfonyl-1,2,4-triazol-4-yl]propyl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one;iodomethane;methane;2-(methoxymethoxy)-4-methyl-5-propan-2-ylbenzohydrazide;O-phenyl N-(3-morpholin-4-ylpropyl)carbamothioate;hydroxide is C.CC(C)c1cc(-c2n[nH]c(=O)n2CCCN2CCOCC2)c(O)cc1O.CI.COCOc1cc(C)c(C(C)C)cc1C(=O)NN.COCOc1cc(OCOC)c(C(C)C)cc1-c1n[nH]c(=S)n1CCCN1CCOCC1.COCOc1cc(OCOC)c(C(C)C)cc1-c1nnc(S(C)(=O)=O)n1CCCN1CCOCC1.COCOc1cc(OCOC)c(C(C)C)cc1-c1nnc(SC)n1CCCN1CCOCC1.COCOc1cc(OCOC)c(C(C)C)cc1C(=O)NNC(=S)NCCCN1CCOCC1.COCOc1cc(OCOC)c(C(C)C)cc1C(=O)O.S=C(NCCCN1CCOCC1)Oc1ccccc1.[Na+].[OH-].
What is the InChIKey of sodium;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]propyl]morpholine;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfonyl-1,2,4-triazol-4-yl]propyl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one;iodomethane;methane;2-(methoxymethoxy)-4-methyl-5-propan-2-ylbenzohydrazide;O-phenyl N-(3-morpholin-4-ylpropyl)carbamothioate;hydroxide?
The InChIKey is ZGRYELLFHIQKFF-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H36N4O7S.C23H36N4O5S.C22H36N4O6S.C22H34N4O5S.C18H26N4O4.C14H20N2O2S.C14H20O6.C13H20N2O3.CH3I.CH4.Na.H2O/c1-17(2)18-13-19(21(34-16-31-4)14-20(18)33-15-30-3)22-24-25-23(35(5,28)29)27(22)8-6-7-26-9-11-32-12-10-26;1-17(2)18-13-19(21(32-16-29-4)14-20(18)31-15-28-3)22-24-25-23(33-5)27(22)8-6-7-26-9-11-30-12-10-26;1-16(2)17-12-18(20(32-15-29-4)13-19(17)31-14-28-3)21(27)24-25-22(33)23-6-5-7-26-8-10-30-11-9-26;1-16(2)17-12-18(20(31-15-28-4)13-19(17)30-14-27-3)21-23-24-22(32)26(21)7-5-6-25-8-10-29-11-9-25;1-12(2)13-10-14(16(24)11-15(13)23)17-19-20-18(25)22(17)5-3-4-21-6-8-26-9-7-21;19-14(18-13-5-2-1-3-6-13)15-7-4-8-16-9-11-17-12-10-16;1-9(2)10-5-11(14(15)16)13(20-8-18-4)6-12(10)19-7-17-3;1-8(2)10-6-11(13(16)15-14)12(5-9(10)3)18-7-17-4;1-2;;;/h13-14,17H,6-12,15-16H2,1-5H3;13-14,17H,6-12,15-16H2,1-5H3;12-13,16H,5-11,14-15H2,1-4H3,(H,24,27)(H2,23,25,33);12-13,16H,5-11,14-15H2,1-4H3,(H,24,32);10-12,23-24H,3-9H2,1-2H3,(H,20,25);1-3,5-6H,4,7-12H2,(H,15,19);5-6,9H,7-8H2,1-4H3,(H,15,16);5-6,8H,7,14H2,1-4H3,(H,15,16);1H3;1H4;;1H2/q;;;;;;;;;;+1;/p-1.
What are the key properties of sodium;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]propyl]morpholine;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfonyl-1,2,4-triazol-4-yl]propyl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one;iodomethane;methane;2-(methoxymethoxy)-4-methyl-5-propan-2-ylbenzohydrazide;O-phenyl N-(3-morpholin-4-ylpropyl)carbamothioate;hydroxide?
sodium;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]propyl]morpholine;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfonyl-1,2,4-triazol-4-yl]propyl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one;iodomethane;methane;2-(methoxymethoxy)-4-methyl-5-propan-2-ylbenzohydrazide;O-phenyl N-(3-morpholin-4-ylpropyl)carbamothioate;hydroxide has a molecular weight of 3321.91 g/mol, XLogP of 16.51, 74 rotatable bonds, 11 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]propyl]morpholine;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfonyl-1,2,4-triazol-4-yl]propyl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one;iodomethane;methane;2-(methoxymethoxy)-4-methyl-5-propan-2-ylbenzohydrazide;O-phenyl N-(3-morpholin-4-ylpropyl)carbamothioate;hydroxide is sourced from PubChem (CID 162115453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).