[1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(3,4-dinitrooxybutoxycarbonyloxy)propan-2-yl] 5,6-dinitrooxyhexanoate;[3-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-2-(6-nitrooxyhexanoyloxy)propyl] 6-nitrooxyhexanoate;[1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(6-nitrooxyhexoxycarbonyloxy)propan-2-yl] 6-nitrooxyhexyl carbonate;[3-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-2,4,6-trimethylphenyl] 5,6-dinitrooxyhexyl carbonate

C152H184ClN25O70S5 — CID 162169837

IUPAC[1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(3,4-dinitrooxybutoxycarbonyloxy)propan-2-yl] 5,6-dinitrooxyhexanoate;[3-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-2-(6-nitrooxyhexanoyloxy)propyl] 6-nitrooxyhexanoate;[1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(6-nitrooxyhexoxycarbonyloxy)propan-2-yl] 6-nitrooxyhexyl carbonate;[3-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-2,4,6-trimethylphenyl] 5,6-dinitrooxyhexyl carbonate
SMILESCOc1ccc(-c2nc(NS(=O)(=O)c3ccc(C(C)(C)C)cn3)c(Oc3ccccc3OC)c(OCC(COC(=O)CCCCCO[N+](=O)[O-])OC(=O)CCCCCO[N+](=O)[O-])n2)cc1.COc1ccc(-c2nc(NS(=O)(=O)c3ccc(C(C)(C)C)cn3)c(Oc3ccccc3OC)c(OCC(COC(=O)OCCC(CO[N+](=O)[O-])O[N+](=O)[O-])OC(=O)CCCC(CO[N+](=O)[O-])O[N+](=O)[O-])n2)cc1.COc1ccc(-c2nc(NS(=O)(=O)c3ccc(C(C)(C)C)cn3)c(Oc3ccccc3OC)c(OCC(COC(=O)OCCCCCCO[N+](=O)[O-])OC(=O)OCCCCCCO[N+](=O)[O-])n2)cc1.Cc1cc(C)c(OC(=O)OCCCCC(CO[N+](=O)[O-])O[N+](=O)[O-])c(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl
InChIInChI=1S/C44H56N6O18S.C42H52N6O16S.C41H48N8O23S.C25H28ClN5O13S2/c1-44(2,3)32-20-23-37(45-28-32)69(57,58)48-40-38(68-36-17-11-10-16-35(36)60-5)41(47-39(46-40)31-18-21-33(59-4)22-19-31)63-29-34(67-43(52)62-25-13-7-9-15-27-66-50(55)56)30-64-42(51)61-24-12-6-8-14-26-65-49(53)54;1-42(2,3)30-20-23-35(43-26-30)65(55,56)46-40-38(64-34-15-11-10-14-33(34)58-5)41(45-39(44-40)29-18-21-31(57-4)22-19-29)60-28-32(63-37(50)17-9-7-13-25-62-48(53)54)27-59-36(49)16-8-6-12-24-61-47(51)52;1-41(2,3)27-15-18-34(42-21-27)73(60,61)45-38-36(70-33-11-7-6-10-32(33)63-5)39(44-37(43-38)26-13-16-28(62-4)17-14-26)65-22-31(69-35(50)12-8-9-29(71-48(56)57)24-67-46(52)53)23-66-40(51)64-20-19-30(72-49(58)59)25-68-47(54)55;1-13-11-14(2)21(42-25(33)40-9-6-5-7-17(44-31(36)37)12-41-30(34)35)15(3)20(13)27-23(32)22-18(8-10-45-22)46(38,39)29-24-19(26)16(4)28-43-24/h10-11,16-23,28,34H,6-9,12-15,24-27,29-30H2,1-5H3,(H,46,47,48);10-11,14-15,18-23,26,32H,6-9,12-13,16-17,24-25,27-28H2,1-5H3,(H,44,45,46);6-7,10-11,13-18,21,29-31H,8-9,12,19-20,22-25H2,1-5H3,(H,43,44,45);8,10-11,17,29H,5-7,9,12H2,1-4H3,(H,27,32)
InChIKeyZNQGRHNZSJEJKM-UHFFFAOYSA-N
MW3677.04 g/mol
LogP25.02
Rot. Bonds105

About [1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(3,4-dinitrooxybutoxycarbonyloxy)propan-2-yl] 5,6-dinitrooxyhexanoate;[3-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-2-(6-nitrooxyhexanoyloxy)propyl] 6-nitrooxyhexanoate;[1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(6-nitrooxyhexoxycarbonyloxy)propan-2-yl] 6-nitrooxyhexyl carbonate;[3-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-2,4,6-trimethylphenyl] 5,6-dinitrooxyhexyl carbonate

[1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(3,4-dinitrooxybutoxycarbonyloxy)propan-2-yl] 5,6-dinitrooxyhexanoate;[3-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-2-(6-nitrooxyhexanoyloxy)propyl] 6-nitrooxyhexanoate;[1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(6-nitrooxyhexoxycarbonyloxy)propan-2-yl] 6-nitrooxyhexyl carbonate;[3-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-2,4,6-trimethylphenyl] 5,6-dinitrooxyhexyl carbonate (PubChem CID 162169837) has the molecular formula C152H184ClN25O70S5 and a molecular weight of 3677.04 g/mol. Its IUPAC name is [1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(3,4-dinitrooxybutoxycarbonyloxy)propan-2-yl] 5,6-dinitrooxyhexanoate;[3-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-2-(6-nitrooxyhexanoyloxy)propyl] 6-nitrooxyhexanoate;[1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(6-nitrooxyhexoxycarbonyloxy)propan-2-yl] 6-nitrooxyhexyl carbonate;[3-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-2,4,6-trimethylphenyl] 5,6-dinitrooxyhexyl carbonate.

Molecular Properties

Compound Name[1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(3,4-dinitrooxybutoxycarbonyloxy)propan-2-yl] 5,6-dinitrooxyhexanoate;[3-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-2-(6-nitrooxyhexanoyloxy)propyl] 6-nitrooxyhexanoate;[1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(6-nitrooxyhexoxycarbonyloxy)propan-2-yl] 6-nitrooxyhexyl carbonate;[3-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-2,4,6-trimethylphenyl] 5,6-dinitrooxyhexyl carbonate
PubChem CID162169837
Molecular FormulaC152H184ClN25O70S5
Molecular Weight3677.04 g/mol
Exact Mass3673.99
IUPAC Name[1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(3,4-dinitrooxybutoxycarbonyloxy)propan-2-yl] 5,6-dinitrooxyhexanoate;[3-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-2-(6-nitrooxyhexanoyloxy)propyl] 6-nitrooxyhexanoate;[1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(6-nitrooxyhexoxycarbonyloxy)propan-2-yl] 6-nitrooxyhexyl carbonate;[3-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-2,4,6-trimethylphenyl] 5,6-dinitrooxyhexyl carbonate
SMILESCOc1ccc(-c2nc(NS(=O)(=O)c3ccc(C(C)(C)C)cn3)c(Oc3ccccc3OC)c(OCC(COC(=O)CCCCCO[N+](=O)[O-])OC(=O)CCCCCO[N+](=O)[O-])n2)cc1.COc1ccc(-c2nc(NS(=O)(=O)c3ccc(C(C)(C)C)cn3)c(Oc3ccccc3OC)c(OCC(COC(=O)OCCC(CO[N+](=O)[O-])O[N+](=O)[O-])OC(=O)CCCC(CO[N+](=O)[O-])O[N+](=O)[O-])n2)cc1.COc1ccc(-c2nc(NS(=O)(=O)c3ccc(C(C)(C)C)cn3)c(Oc3ccccc3OC)c(OCC(COC(=O)OCCCCCCO[N+](=O)[O-])OC(=O)OCCCCCCO[N+](=O)[O-])n2)cc1.Cc1cc(C)c(OC(=O)OCCCCC(CO[N+](=O)[O-])O[N+](=O)[O-])c(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl
InChIInChI=1S/C44H56N6O18S.C42H52N6O16S.C41H48N8O23S.C25H28ClN5O13S2/c1-44(2,3)32-20-23-37(45-28-32)69(57,58)48-40-38(68-36-17-11-10-16-35(36)60-5)41(47-39(46-40)31-18-21-33(59-4)22-19-31)63-29-34(67-43(52)62-25-13-7-9-15-27-66-50(55)56)30-64-42(51)61-24-12-6-8-14-26-65-49(53)54;1-42(2,3)30-20-23-35(43-26-30)65(55,56)46-40-38(64-34-15-11-10-14-33(34)58-5)41(45-39(44-40)29-18-21-31(57-4)22-19-29)60-28-32(63-37(50)17-9-7-13-25-62-48(53)54)27-59-36(49)16-8-6-12-24-61-47(51)52;1-41(2,3)27-15-18-34(42-21-27)73(60,61)45-38-36(70-33-11-7-6-10-32(33)63-5)39(44-37(43-38)26-13-16-28(62-4)17-14-26)65-22-31(69-35(50)12-8-9-29(71-48(56)57)24-67-46(52)53)23-66-40(51)64-20-19-30(72-49(58)59)25-68-47(54)55;1-13-11-14(2)21(42-25(33)40-9-6-5-7-17(44-31(36)37)12-41-30(34)35)15(3)20(13)27-23(32)22-18(8-10-45-22)46(38,39)29-24-19(26)16(4)28-43-24/h10-11,16-23,28,34H,6-9,12-15,24-27,29-30H2,1-5H3,(H,46,47,48);10-11,14-15,18-23,26,32H,6-9,12-13,16-17,24-25,27-28H2,1-5H3,(H,44,45,46);6-7,10-11,13-18,21,29-31H,8-9,12,19-20,22-25H2,1-5H3,(H,43,44,45);8,10-11,17,29H,5-7,9,12H2,1-4H3,(H,27,32)
InChIKeyZNQGRHNZSJEJKM-UHFFFAOYSA-N
XLogP25.02
TPSA1211.30 Ų
H-Bond Donors5
H-Bond Acceptors81
Rotatable Bonds105
Heavy Atoms253
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003677.04
LogP ≤ 525.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1081

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Analyze [1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(3,4-dinitrooxybutoxycarbonyloxy)propan-2-yl] 5,6-dinitrooxyhexanoate;[3-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-2-(6-nitrooxyhexanoyloxy)propyl] 6-nitrooxyhexanoate;[1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(6-nitrooxyhexoxycarbonyloxy)propan-2-yl] 6-nitrooxyhexyl carbonate;[3-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-2,4,6-trimethylphenyl] 5,6-dinitrooxyhexyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(3,4-dinitrooxybutoxycarbonyloxy)propan-2-yl] 5,6-dinitrooxyhexanoate;[3-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-2-(6-nitrooxyhexanoyloxy)propyl] 6-nitrooxyhexanoate;[1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(6-nitrooxyhexoxycarbonyloxy)propan-2-yl] 6-nitrooxyhexyl carbonate;[3-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-2,4,6-trimethylphenyl] 5,6-dinitrooxyhexyl carbonate?
The IUPAC name of [1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(3,4-dinitrooxybutoxycarbonyloxy)propan-2-yl] 5,6-dinitrooxyhexanoate;[3-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-2-(6-nitrooxyhexanoyloxy)propyl] 6-nitrooxyhexanoate;[1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(6-nitrooxyhexoxycarbonyloxy)propan-2-yl] 6-nitrooxyhexyl carbonate;[3-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-2,4,6-trimethylphenyl] 5,6-dinitrooxyhexyl carbonate (CID 162169837) is [1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(3,4-dinitrooxybutoxycarbonyloxy)propan-2-yl] 5,6-dinitrooxyhexanoate;[3-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-2-(6-nitrooxyhexanoyloxy)propyl] 6-nitrooxyhexanoate;[1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(6-nitrooxyhexoxycarbonyloxy)propan-2-yl] 6-nitrooxyhexyl carbonate;[3-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-2,4,6-trimethylphenyl] 5,6-dinitrooxyhexyl carbonate.
What is the SMILES notation for [1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(3,4-dinitrooxybutoxycarbonyloxy)propan-2-yl] 5,6-dinitrooxyhexanoate;[3-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-2-(6-nitrooxyhexanoyloxy)propyl] 6-nitrooxyhexanoate;[1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(6-nitrooxyhexoxycarbonyloxy)propan-2-yl] 6-nitrooxyhexyl carbonate;[3-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-2,4,6-trimethylphenyl] 5,6-dinitrooxyhexyl carbonate?
The canonical SMILES for [1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(3,4-dinitrooxybutoxycarbonyloxy)propan-2-yl] 5,6-dinitrooxyhexanoate;[3-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-2-(6-nitrooxyhexanoyloxy)propyl] 6-nitrooxyhexanoate;[1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(6-nitrooxyhexoxycarbonyloxy)propan-2-yl] 6-nitrooxyhexyl carbonate;[3-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-2,4,6-trimethylphenyl] 5,6-dinitrooxyhexyl carbonate is COc1ccc(-c2nc(NS(=O)(=O)c3ccc(C(C)(C)C)cn3)c(Oc3ccccc3OC)c(OCC(COC(=O)CCCCCO[N+](=O)[O-])OC(=O)CCCCCO[N+](=O)[O-])n2)cc1.COc1ccc(-c2nc(NS(=O)(=O)c3ccc(C(C)(C)C)cn3)c(Oc3ccccc3OC)c(OCC(COC(=O)OCCC(CO[N+](=O)[O-])O[N+](=O)[O-])OC(=O)CCCC(CO[N+](=O)[O-])O[N+](=O)[O-])n2)cc1.COc1ccc(-c2nc(NS(=O)(=O)c3ccc(C(C)(C)C)cn3)c(Oc3ccccc3OC)c(OCC(COC(=O)OCCCCCCO[N+](=O)[O-])OC(=O)OCCCCCCO[N+](=O)[O-])n2)cc1.Cc1cc(C)c(OC(=O)OCCCCC(CO[N+](=O)[O-])O[N+](=O)[O-])c(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl.
What is the InChIKey of [1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(3,4-dinitrooxybutoxycarbonyloxy)propan-2-yl] 5,6-dinitrooxyhexanoate;[3-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-2-(6-nitrooxyhexanoyloxy)propyl] 6-nitrooxyhexanoate;[1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(6-nitrooxyhexoxycarbonyloxy)propan-2-yl] 6-nitrooxyhexyl carbonate;[3-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-2,4,6-trimethylphenyl] 5,6-dinitrooxyhexyl carbonate?
The InChIKey is ZNQGRHNZSJEJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H56N6O18S.C42H52N6O16S.C41H48N8O23S.C25H28ClN5O13S2/c1-44(2,3)32-20-23-37(45-28-32)69(57,58)48-40-38(68-36-17-11-10-16-35(36)60-5)41(47-39(46-40)31-18-21-33(59-4)22-19-31)63-29-34(67-43(52)62-25-13-7-9-15-27-66-50(55)56)30-64-42(51)61-24-12-6-8-14-26-65-49(53)54;1-42(2,3)30-20-23-35(43-26-30)65(55,56)46-40-38(64-34-15-11-10-14-33(34)58-5)41(45-39(44-40)29-18-21-31(57-4)22-19-29)60-28-32(63-37(50)17-9-7-13-25-62-48(53)54)27-59-36(49)16-8-6-12-24-61-47(51)52;1-41(2,3)27-15-18-34(42-21-27)73(60,61)45-38-36(70-33-11-7-6-10-32(33)63-5)39(44-37(43-38)26-13-16-28(62-4)17-14-26)65-22-31(69-35(50)12-8-9-29(71-48(56)57)24-67-46(52)53)23-66-40(51)64-20-19-30(72-49(58)59)25-68-47(54)55;1-13-11-14(2)21(42-25(33)40-9-6-5-7-17(44-31(36)37)12-41-30(34)35)15(3)20(13)27-23(32)22-18(8-10-45-22)46(38,39)29-24-19(26)16(4)28-43-24/h10-11,16-23,28,34H,6-9,12-15,24-27,29-30H2,1-5H3,(H,46,47,48);10-11,14-15,18-23,26,32H,6-9,12-13,16-17,24-25,27-28H2,1-5H3,(H,44,45,46);6-7,10-11,13-18,21,29-31H,8-9,12,19-20,22-25H2,1-5H3,(H,43,44,45);8,10-11,17,29H,5-7,9,12H2,1-4H3,(H,27,32).
What are the key properties of [1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(3,4-dinitrooxybutoxycarbonyloxy)propan-2-yl] 5,6-dinitrooxyhexanoate;[3-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-2-(6-nitrooxyhexanoyloxy)propyl] 6-nitrooxyhexanoate;[1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(6-nitrooxyhexoxycarbonyloxy)propan-2-yl] 6-nitrooxyhexyl carbonate;[3-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-2,4,6-trimethylphenyl] 5,6-dinitrooxyhexyl carbonate?
[1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(3,4-dinitrooxybutoxycarbonyloxy)propan-2-yl] 5,6-dinitrooxyhexanoate;[3-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-2-(6-nitrooxyhexanoyloxy)propyl] 6-nitrooxyhexanoate;[1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(6-nitrooxyhexoxycarbonyloxy)propan-2-yl] 6-nitrooxyhexyl carbonate;[3-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-2,4,6-trimethylphenyl] 5,6-dinitrooxyhexyl carbonate has a molecular weight of 3677.04 g/mol, XLogP of 25.02, 105 rotatable bonds, 5 hydrogen bond donors, and 81 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(3,4-dinitrooxybutoxycarbonyloxy)propan-2-yl] 5,6-dinitrooxyhexanoate;[3-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-2-(6-nitrooxyhexanoyloxy)propyl] 6-nitrooxyhexanoate;[1-[6-[(5-tert-butyl-2-pyridinyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]oxy-3-(6-nitrooxyhexoxycarbonyloxy)propan-2-yl] 6-nitrooxyhexyl carbonate;[3-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-2,4,6-trimethylphenyl] 5,6-dinitrooxyhexyl carbonate is sourced from PubChem (CID 162169837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).