acetic acid;bis(7,25-bis[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide);butane-1,4-diamine;3-[3-(5-carbamoyl-2-chloro-3-nitrophenoxy)propoxy]-4-chloro-5-nitrobenzamide;carbononitridic bromide;4-chloro-3-hydroxy-5-nitrobenzamide;11,20-diamino-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;7,25-diamino-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide;1,3-dibromopropane;11,20-dinitro-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methane;methanol

C182H221Br3Cl3N55O45 — CID 162251031

About acetic acid;bis(7,25-bis[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide);butane-1,4-diamine;3-[3-(5-carbamoyl-2-chloro-3-nitrophenoxy)propoxy]-4-chloro-5-nitrobenzamide;carbononitridic bromide;4-chloro-3-hydroxy-5-nitrobenzamide;11,20-diamino-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;7,25-diamino-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide;1,3-dibromopropane;11,20-dinitro-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methane;methanol

acetic acid;bis(7,25-bis[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide);butane-1,4-diamine;3-[3-(5-carbamoyl-2-chloro-3-nitrophenoxy)propoxy]-4-chloro-5-nitrobenzamide;carbononitridic bromide;4-chloro-3-hydroxy-5-nitrobenzamide;11,20-diamino-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;7,25-diamino-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide;1,3-dibromopropane;11,20-dinitro-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methane;methanol (PubChem CID 162251031) has the molecular formula C182H221Br3Cl3N55O45 and a molecular weight of 4245.18 g/mol. Its IUPAC name is acetic acid;bis(7,25-bis[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide);butane-1,4-diamine;3-[3-(5-carbamoyl-2-chloro-3-nitrophenoxy)propoxy]-4-chloro-5-nitrobenzamide;carbononitridic bromide;4-chloro-3-hydroxy-5-nitrobenzamide;11,20-diamino-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;7,25-diamino-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide;1,3-dibromopropane;11,20-dinitro-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methane;methanol.

Molecular Properties

• Compound Name: acetic acid;bis(7,25-bis[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide);butane-1,4-diamine;3-[3-(5-carbamoyl-2-chloro-3-nitrophenoxy)propoxy]-4-chloro-5-nitrobenzamide;carbononitridic bromide;4-chloro-3-hydroxy-5-nitrobenzamide;11,20-diamino-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;7,25-diamino-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide;1,3-dibromopropane;11,20-dinitro-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methane;methanol
• PubChem CID: 162251031
• Molecular Formula: C182H221Br3Cl3N55O45
• Molecular Weight: 4245.18 g/mol
• Exact Mass: 4238.33
• IUPAC Name: acetic acid;bis(7,25-bis[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide);butane-1,4-diamine;3-[3-(5-carbamoyl-2-chloro-3-nitrophenoxy)propoxy]-4-chloro-5-nitrobenzamide;carbononitridic bromide;4-chloro-3-hydroxy-5-nitrobenzamide;11,20-diamino-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;7,25-diamino-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide;1,3-dibromopropane;11,20-dinitro-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methane;methanol
• SMILES: BrCCCBr.C.CC(=O)O.CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc3c2n1CCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(c21)OCCCO3.CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc3c2n1CCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(c21)OCCCO3.CCn1nc(C)cc1C(=O)O.CO.N#CBr.NC(=O)c1cc(N)c2c(c1)OCCCOc1cc(C(N)=O)cc(N)c1NCCCCN2.NC(=O)c1cc(O)c(Cl)c([N+](=O)[O-])c1.NC(=O)c1cc(OCCCOc2cc(C(N)=O)cc([N+](=O)[O-])c2Cl)c(Cl)c([N+](=O)[O-])c1.NC(=O)c1cc2c(c([N+](=O)[O-])c1)NCCCCNc1c(cc(C(N)=O)cc1[N+](=O)[O-])OCCCO2.NC(=O)c1cc2c3c(c1)nc(N)n3CCCCn1c(N)nc3cc(C(N)=O)cc(c31)OCCCO2.NCCCCN
• InChI: InChI=1S/2C37H42N12O6.C23H26N8O4.C21H24N6O8.C21H28N6O4.C17H14Cl2N4O8.C7H5ClN2O4.C7H10N2O2.C4H12N2.C3H6Br2.C2H4O2.CBrN.CH4O.CH4/c2*1-5-48-26(14-20(3)44-48)34(52)42-36-40-24-16-22(32(38)50)18-28-30(24)46(36)10-7-8-11-47-31-25(17-23(33(39)51)19-29(31)55-13-9-12-54-28)41-37(47)43-35(53)27-15-21(4)45-49(27)6-2;24-20(32)12-8-14-18-16(10-12)34-6-3-7-35-17-11-13(21(25)33)9-15-19(17)31(23(27)29-15)5-2-1-4-30(18)22(26)28-14;22-20(28)12-8-14(26(30)31)18-16(10-12)34-6-3-7-35-17-11-13(21(23)29)9-15(27(32)33)19(17)25-5-2-1-4-24-18;22-14-8-12(20(24)28)10-16-18(14)26-4-1-2-5-27-19-15(23)9-13(21(25)29)11-17(19)31-7-3-6-30-16;18-14-10(22(26)27)4-8(16(20)24)6-12(14)30-2-1-3-31-13-7-9(17(21)25)5-11(15(13)19)23(28)29;8-6-4(10(13)14)1-3(7(9)12)2-5(6)11;1-3-9-6(7(10)11)4-5(2)8-9;5-3-1-2-4-6;4-2-1-3-5;1-2(3)4;2-1-3;1-2;/h2*14-19H,5-13H2,1-4H3,(H2,38,50)(H2,39,51)(H,40,42,52)(H,41,43,53);8-11H,1-7H2,(H2,24,32)(H2,25,33)(H2,26,28)(H2,27,29);8-11,24-25H,1-7H2,(H2,22,28)(H2,23,29);8-11,26-27H,1-7,22-23H2,(H2,24,28)(H2,25,29);4-7H,1-3H2,(H2,20,24)(H2,21,25);1-2,11H,(H2,9,12);4H,3H2,1-2H3,(H,10,11);1-6H2;1-3H2;1H3,(H,3,4);;2H,1H3;1H4
• InChIKey: KMJWTIGZRIQOTA-UHFFFAOYSA-N
• XLogP: 20.50
• TPSA: 1542.14 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 76
• Rotatable Bonds: 43
• Heavy Atoms: 288
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4245.18
LogP ≤ 5	20.50
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	76

Frequently Asked Questions

What is the IUPAC name of acetic acid;bis(7,25-bis[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide);butane-1,4-diamine;3-[3-(5-carbamoyl-2-chloro-3-nitrophenoxy)propoxy]-4-chloro-5-nitrobenzamide;carbononitridic bromide;4-chloro-3-hydroxy-5-nitrobenzamide;11,20-diamino-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;7,25-diamino-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide;1,3-dibromopropane;11,20-dinitro-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methane;methanol?

The IUPAC name of acetic acid;bis(7,25-bis[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide);butane-1,4-diamine;3-[3-(5-carbamoyl-2-chloro-3-nitrophenoxy)propoxy]-4-chloro-5-nitrobenzamide;carbononitridic bromide;4-chloro-3-hydroxy-5-nitrobenzamide;11,20-diamino-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;7,25-diamino-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide;1,3-dibromopropane;11,20-dinitro-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methane;methanol (CID 162251031) is acetic acid;bis(7,25-bis[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide);butane-1,4-diamine;3-[3-(5-carbamoyl-2-chloro-3-nitrophenoxy)propoxy]-4-chloro-5-nitrobenzamide;carbononitridic bromide;4-chloro-3-hydroxy-5-nitrobenzamide;11,20-diamino-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;7,25-diamino-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide;1,3-dibromopropane;11,20-dinitro-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methane;methanol.

What is the SMILES notation for acetic acid;bis(7,25-bis[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide);butane-1,4-diamine;3-[3-(5-carbamoyl-2-chloro-3-nitrophenoxy)propoxy]-4-chloro-5-nitrobenzamide;carbononitridic bromide;4-chloro-3-hydroxy-5-nitrobenzamide;11,20-diamino-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;7,25-diamino-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide;1,3-dibromopropane;11,20-dinitro-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methane;methanol?

The canonical SMILES for acetic acid;bis(7,25-bis[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide);butane-1,4-diamine;3-[3-(5-carbamoyl-2-chloro-3-nitrophenoxy)propoxy]-4-chloro-5-nitrobenzamide;carbononitridic bromide;4-chloro-3-hydroxy-5-nitrobenzamide;11,20-diamino-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;7,25-diamino-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide;1,3-dibromopropane;11,20-dinitro-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methane;methanol is BrCCCBr.C.CC(=O)O.CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc3c2n1CCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(c21)OCCCO3.CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc3c2n1CCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(c21)OCCCO3.CCn1nc(C)cc1C(=O)O.CO.N#CBr.NC(=O)c1cc(N)c2c(c1)OCCCOc1cc(C(N)=O)cc(N)c1NCCCCN2.NC(=O)c1cc(O)c(Cl)c([N+](=O)[O-])c1.NC(=O)c1cc(OCCCOc2cc(C(N)=O)cc([N+](=O)[O-])c2Cl)c(Cl)c([N+](=O)[O-])c1.NC(=O)c1cc2c(c([N+](=O)[O-])c1)NCCCCNc1c(cc(C(N)=O)cc1[N+](=O)[O-])OCCCO2.NC(=O)c1cc2c3c(c1)nc(N)n3CCCCn1c(N)nc3cc(C(N)=O)cc(c31)OCCCO2.NCCCCN.

What is the InChIKey of acetic acid;bis(7,25-bis[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide);butane-1,4-diamine;3-[3-(5-carbamoyl-2-chloro-3-nitrophenoxy)propoxy]-4-chloro-5-nitrobenzamide;carbononitridic bromide;4-chloro-3-hydroxy-5-nitrobenzamide;11,20-diamino-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;7,25-diamino-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide;1,3-dibromopropane;11,20-dinitro-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methane;methanol?

The InChIKey is KMJWTIGZRIQOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H42N12O6.C23H26N8O4.C21H24N6O8.C21H28N6O4.C17H14Cl2N4O8.C7H5ClN2O4.C7H10N2O2.C4H12N2.C3H6Br2.C2H4O2.CBrN.CH4O.CH4/c2*1-5-48-26(14-20(3)44-48)34(52)42-36-40-24-16-22(32(38)50)18-28-30(24)46(36)10-7-8-11-47-31-25(17-23(33(39)51)19-29(31)55-13-9-12-54-28)41-37(47)43-35(53)27-15-21(4)45-49(27)6-2;24-20(32)12-8-14-18-16(10-12)34-6-3-7-35-17-11-13(21(25)33)9-15-19(17)31(23(27)29-15)5-2-1-4-30(18)22(26)28-14;22-20(28)12-8-14(26(30)31)18-16(10-12)34-6-3-7-35-17-11-13(21(23)29)9-15(27(32)33)19(17)25-5-2-1-4-24-18;22-14-8-12(20(24)28)10-16-18(14)26-4-1-2-5-27-19-15(23)9-13(21(25)29)11-17(19)31-7-3-6-30-16;18-14-10(22(26)27)4-8(16(20)24)6-12(14)30-2-1-3-31-13-7-9(17(21)25)5-11(15(13)19)23(28)29;8-6-4(10(13)14)1-3(7(9)12)2-5(6)11;1-3-9-6(7(10)11)4-5(2)8-9;5-3-1-2-4-6;4-2-1-3-5;1-2(3)4;2-1-3;1-2;/h2*14-19H,5-13H2,1-4H3,(H2,38,50)(H2,39,51)(H,40,42,52)(H,41,43,53);8-11H,1-7H2,(H2,24,32)(H2,25,33)(H2,26,28)(H2,27,29);8-11,24-25H,1-7H2,(H2,22,28)(H2,23,29);8-11,26-27H,1-7,22-23H2,(H2,24,28)(H2,25,29);4-7H,1-3H2,(H2,20,24)(H2,21,25);1-2,11H,(H2,9,12);4H,3H2,1-2H3,(H,10,11);1-6H2;1-3H2;1H3,(H,3,4);;2H,1H3;1H4.

What are the key properties of acetic acid;bis(7,25-bis[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide);butane-1,4-diamine;3-[3-(5-carbamoyl-2-chloro-3-nitrophenoxy)propoxy]-4-chloro-5-nitrobenzamide;carbononitridic bromide;4-chloro-3-hydroxy-5-nitrobenzamide;11,20-diamino-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;7,25-diamino-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide;1,3-dibromopropane;11,20-dinitro-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methane;methanol?

acetic acid;bis(7,25-bis[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide);butane-1,4-diamine;3-[3-(5-carbamoyl-2-chloro-3-nitrophenoxy)propoxy]-4-chloro-5-nitrobenzamide;carbononitridic bromide;4-chloro-3-hydroxy-5-nitrobenzamide;11,20-diamino-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;7,25-diamino-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide;1,3-dibromopropane;11,20-dinitro-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methane;methanol has a molecular weight of 4245.18 g/mol, XLogP of 20.50, 43 rotatable bonds, 31 hydrogen bond donors, and 76 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;bis(7,25-bis[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide);butane-1,4-diamine;3-[3-(5-carbamoyl-2-chloro-3-nitrophenoxy)propoxy]-4-chloro-5-nitrobenzamide;carbononitridic bromide;4-chloro-3-hydroxy-5-nitrobenzamide;11,20-diamino-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;7,25-diamino-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-7,9(27),10,12,19,21,23(26),24-octaene-11,21-dicarboxamide;1,3-dibromopropane;11,20-dinitro-2,6-dioxa-13,18-diazatricyclo[17.4.0.07,12]tricosa-1(23),7,9,11,19,21-hexaene-9,22-dicarboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methane;methanol is sourced from PubChem (CID 162251031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).