5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-bromobenzohydrazide;4-bromo-3-chlorobenzoic acid;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid

C150H152B3Br4Cl2N33O18 — CID 164982658

About 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-bromobenzohydrazide;4-bromo-3-chlorobenzoic acid;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid

5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-bromobenzohydrazide;4-bromo-3-chlorobenzoic acid;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid (PubChem CID 164982658) has the molecular formula C150H152B3Br4Cl2N33O18 and a molecular weight of 3128.04 g/mol. Its IUPAC name is 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-bromobenzohydrazide;4-bromo-3-chlorobenzoic acid;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid.

Molecular Properties

• Compound Name: 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-bromobenzohydrazide;4-bromo-3-chlorobenzoic acid;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid
• PubChem CID: 164982658
• Molecular Formula: C150H152B3Br4Cl2N33O18
• Molecular Weight: 3128.04 g/mol
• Exact Mass: 3121.84
• IUPAC Name: 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-bromobenzohydrazide;4-bromo-3-chlorobenzoic acid;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid
• SMILES: CC(C)(C)OC(=O)N1CCc2c(n3ncc(Cc4ccccc4)c3[nH]c2=O)C1.CC1(C)COB(B2OCC(C)(C)CO2)OC1.Cn1cnnc1-c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CN(C(=O)OC(C)(C)C)CC3)cc1.Cn1cnnc1-c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.Cn1cnnc1-c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CNCC3)cc1.Cn1cnnc1-c1ccc(B(O)O)cc1.Cn1cnnc1-c1ccc(Br)cc1.NNC(=O)c1ccc(Br)cc1.O=C(O)c1ccc(Br)c(Cl)c1
• InChI: InChI=1S/C32H25BrClN7O2.C30H31N7O3.C25H23N7O.C21H24N4O3.C10H20B2O4.C9H10BN3O2.C9H8BrN3.C7H4BrClO2.C7H7BrN2O/c1-38-19-35-37-29(38)21-7-10-24(11-8-21)40-30-23(15-20-5-3-2-4-6-20)17-36-41(30)28-18-39(14-13-25(28)32(40)43)31(42)22-9-12-26(33)27(34)16-22;1-30(2,3)40-29(39)35-15-14-24-25(18-35)37-27(22(17-32-37)16-20-8-6-5-7-9-20)36(28(24)38)23-12-10-21(11-13-23)26-33-31-19-34(26)4;1-30-16-27-29-23(30)18-7-9-20(10-8-18)31-24-19(13-17-5-3-2-4-6-17)14-28-32(24)22-15-26-12-11-21(22)25(31)33;1-21(2,3)28-20(27)24-10-9-16-17(13-24)25-18(23-19(16)26)15(12-22-25)11-14-7-5-4-6-8-14;1-9(2)5-13-11(14-6-9)12-15-7-10(3,4)8-16-12;1-13-6-11-12-9(13)7-2-4-8(5-3-7)10(14)15;1-13-6-11-12-9(13)7-2-4-8(10)5-3-7;8-5-2-1-4(7(10)11)3-6(5)9;8-6-3-1-5(2-4-6)7(11)10-9/h2-12,16-17,19H,13-15,18H2,1H3;5-13,17,19H,14-16,18H2,1-4H3;2-10,14,16,26H,11-13,15H2,1H3;4-8,12H,9-11,13H2,1-3H3,(H,23,26);5-8H2,1-4H3;2-6,14-15H,1H3;2-6H,1H3;1-3H,(H,10,11);1-4H,9H2,(H,10,11)
• InChIKey: FSEYKLHJZXKTKF-UHFFFAOYSA-N
• XLogP: 21.52
• TPSA: 582.83 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 45
• Rotatable Bonds: 21
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3128.04
LogP ≤ 5	21.52
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-bromobenzohydrazide;4-bromo-3-chlorobenzoic acid;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid?

The IUPAC name of 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-bromobenzohydrazide;4-bromo-3-chlorobenzoic acid;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid (CID 164982658) is 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-bromobenzohydrazide;4-bromo-3-chlorobenzoic acid;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid.

What is the SMILES notation for 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-bromobenzohydrazide;4-bromo-3-chlorobenzoic acid;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid?

The canonical SMILES for 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-bromobenzohydrazide;4-bromo-3-chlorobenzoic acid;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid is CC(C)(C)OC(=O)N1CCc2c(n3ncc(Cc4ccccc4)c3[nH]c2=O)C1.CC1(C)COB(B2OCC(C)(C)CO2)OC1.Cn1cnnc1-c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CN(C(=O)OC(C)(C)C)CC3)cc1.Cn1cnnc1-c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.Cn1cnnc1-c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CNCC3)cc1.Cn1cnnc1-c1ccc(B(O)O)cc1.Cn1cnnc1-c1ccc(Br)cc1.NNC(=O)c1ccc(Br)cc1.O=C(O)c1ccc(Br)c(Cl)c1.

What is the InChIKey of 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-bromobenzohydrazide;4-bromo-3-chlorobenzoic acid;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid?

The InChIKey is FSEYKLHJZXKTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25BrClN7O2.C30H31N7O3.C25H23N7O.C21H24N4O3.C10H20B2O4.C9H10BN3O2.C9H8BrN3.C7H4BrClO2.C7H7BrN2O/c1-38-19-35-37-29(38)21-7-10-24(11-8-21)40-30-23(15-20-5-3-2-4-6-20)17-36-41(30)28-18-39(14-13-25(28)32(40)43)31(42)22-9-12-26(33)27(34)16-22;1-30(2,3)40-29(39)35-15-14-24-25(18-35)37-27(22(17-32-37)16-20-8-6-5-7-9-20)36(28(24)38)23-12-10-21(11-13-23)26-33-31-19-34(26)4;1-30-16-27-29-23(30)18-7-9-20(10-8-18)31-24-19(13-17-5-3-2-4-6-17)14-28-32(24)22-15-26-12-11-21(22)25(31)33;1-21(2,3)28-20(27)24-10-9-16-17(13-24)25-18(23-19(16)26)15(12-22-25)11-14-7-5-4-6-8-14;1-9(2)5-13-11(14-6-9)12-15-7-10(3,4)8-16-12;1-13-6-11-12-9(13)7-2-4-8(5-3-7)10(14)15;1-13-6-11-12-9(13)7-2-4-8(10)5-3-7;8-5-2-1-4(7(10)11)3-6(5)9;8-6-3-1-5(2-4-6)7(11)10-9/h2-12,16-17,19H,13-15,18H2,1H3;5-13,17,19H,14-16,18H2,1-4H3;2-10,14,16,26H,11-13,15H2,1H3;4-8,12H,9-11,13H2,1-3H3,(H,23,26);5-8H2,1-4H3;2-6,14-15H,1H3;2-6H,1H3;1-3H,(H,10,11);1-4H,9H2,(H,10,11).

What are the key properties of 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-bromobenzohydrazide;4-bromo-3-chlorobenzoic acid;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid?

5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-bromobenzohydrazide;4-bromo-3-chlorobenzoic acid;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid has a molecular weight of 3128.04 g/mol, XLogP of 21.52, 21 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-bromobenzohydrazide;4-bromo-3-chlorobenzoic acid;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 5-benzyl-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-benzyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid is sourced from PubChem (CID 164982658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).