aniline;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;3,4-dichlorobenzoic acid;ethyl 12-(3,4-dichlorobenzoyl)-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydrobromide

C164H153Br4Cl6N26O31+ — CID 159305780

About aniline;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;3,4-dichlorobenzoic acid;ethyl 12-(3,4-dichlorobenzoyl)-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydrobromide

aniline;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;3,4-dichlorobenzoic acid;ethyl 12-(3,4-dichlorobenzoyl)-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydrobromide (PubChem CID 159305780) has the molecular formula C164H153Br4Cl6N26O31+ and a molecular weight of 3516.51 g/mol. Its IUPAC name is aniline;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;3,4-dichlorobenzoic acid;ethyl 12-(3,4-dichlorobenzoyl)-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydrobromide.

Molecular Properties

• Compound Name: aniline;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;3,4-dichlorobenzoic acid;ethyl 12-(3,4-dichlorobenzoyl)-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydrobromide
• PubChem CID: 159305780
• Molecular Formula: C164H153Br4Cl6N26O31+
• Molecular Weight: 3516.51 g/mol
• Exact Mass: 3507.61
• IUPAC Name: aniline;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;3,4-dichlorobenzoic acid;ethyl 12-(3,4-dichlorobenzoyl)-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydrobromide
• SMILES: Br.CC(Cl)OC(=O)Cl.CCOC(=O)c1cn[nH]c1.CCOC(=O)c1cnn2c3c(c(=O)n(-c4ccccc4)c12)CCN(C(=O)c1ccc(Cl)c(Cl)c1)C3.CCOC(=O)c1cnn2c3c(c(=O)n(-c4ccccc4)c12)CCN(Cc1ccc(OC)c(OC)c1)C3.CCOC(=O)c1cnn2c3c(c(=O)n(-c4ccccc4)c12)CCNC3.CCOC(=O)c1cnn2c3c[n+](Cc4ccc(OC)c(OC)c4)ccc3c(=O)n(-c3ccccc3)c12.CCOC(=O)c1cnn2c3cnccc3c(=O)n(-c3ccccc3)c12.COc1ccc(CBr)cc1OC.Nc1ccccc1.O=C(Nc1ccccc1)c1ccncc1Br.O=C(O)c1ccc(Cl)c(Cl)c1.O=C(O)c1ccncc1Br
• InChI: InChI=1S/C27H28N4O5.C27H25N4O5.C25H20Cl2N4O4.C18H18N4O3.C18H14N4O3.C12H9BrN2O.C9H11BrO2.C7H4Cl2O2.C6H4BrNO2.C6H8N2O2.C6H7N.C3H4Cl2O2.BrH/c2*1-4-36-27(33)21-15-28-31-22-17-29(16-18-10-11-23(34-2)24(14-18)35-3)13-12-20(22)26(32)30(25(21)31)19-8-6-5-7-9-19;1-2-35-25(34)18-13-28-31-21-14-29(23(32)15-8-9-19(26)20(27)12-15)11-10-17(21)24(33)30(22(18)31)16-6-4-3-5-7-16;2*1-2-25-18(24)14-10-20-22-15-11-19-9-8-13(15)17(23)21(16(14)22)12-6-4-3-5-7-12;13-11-8-14-7-6-10(11)12(16)15-9-4-2-1-3-5-9;1-11-8-4-3-7(6-10)5-9(8)12-2;8-5-2-1-4(7(10)11)3-6(5)9;7-5-3-8-2-1-4(5)6(9)10;1-2-10-6(9)5-3-7-8-4-5;7-6-4-2-1-3-5-6;1-2(4)7-3(5)6;/h5-11,14-15H,4,12-13,16-17H2,1-3H3;5-15,17H,4,16H2,1-3H3;3-9,12-13H,2,10-11,14H2,1H3;3-7,10,19H,2,8-9,11H2,1H3;3-11H,2H2,1H3;1-8H,(H,15,16);3-5H,6H2,1-2H3;1-3H,(H,10,11);1-3H,(H,9,10);3-4H,2H2,1H3,(H,7,8);1-5H,7H2;2H,1H3;1H/q;+1
• InChIKey: RARMUFOMVZCDNT-UHFFFAOYSA-N
• XLogP: 28.40
• TPSA: 672.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 51
• Rotatable Bonds: 34
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3516.51
LogP ≤ 5	28.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of aniline;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;3,4-dichlorobenzoic acid;ethyl 12-(3,4-dichlorobenzoyl)-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydrobromide?

The IUPAC name of aniline;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;3,4-dichlorobenzoic acid;ethyl 12-(3,4-dichlorobenzoyl)-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydrobromide (CID 159305780) is aniline;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;3,4-dichlorobenzoic acid;ethyl 12-(3,4-dichlorobenzoyl)-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydrobromide.

What is the SMILES notation for aniline;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;3,4-dichlorobenzoic acid;ethyl 12-(3,4-dichlorobenzoyl)-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydrobromide?

The canonical SMILES for aniline;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;3,4-dichlorobenzoic acid;ethyl 12-(3,4-dichlorobenzoyl)-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydrobromide is Br.CC(Cl)OC(=O)Cl.CCOC(=O)c1cn[nH]c1.CCOC(=O)c1cnn2c3c(c(=O)n(-c4ccccc4)c12)CCN(C(=O)c1ccc(Cl)c(Cl)c1)C3.CCOC(=O)c1cnn2c3c(c(=O)n(-c4ccccc4)c12)CCN(Cc1ccc(OC)c(OC)c1)C3.CCOC(=O)c1cnn2c3c(c(=O)n(-c4ccccc4)c12)CCNC3.CCOC(=O)c1cnn2c3c[n+](Cc4ccc(OC)c(OC)c4)ccc3c(=O)n(-c3ccccc3)c12.CCOC(=O)c1cnn2c3cnccc3c(=O)n(-c3ccccc3)c12.COc1ccc(CBr)cc1OC.Nc1ccccc1.O=C(Nc1ccccc1)c1ccncc1Br.O=C(O)c1ccc(Cl)c(Cl)c1.O=C(O)c1ccncc1Br.

What is the InChIKey of aniline;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;3,4-dichlorobenzoic acid;ethyl 12-(3,4-dichlorobenzoyl)-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydrobromide?

The InChIKey is RARMUFOMVZCDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O5.C27H25N4O5.C25H20Cl2N4O4.C18H18N4O3.C18H14N4O3.C12H9BrN2O.C9H11BrO2.C7H4Cl2O2.C6H4BrNO2.C6H8N2O2.C6H7N.C3H4Cl2O2.BrH/c2*1-4-36-27(33)21-15-28-31-22-17-29(16-18-10-11-23(34-2)24(14-18)35-3)13-12-20(22)26(32)30(25(21)31)19-8-6-5-7-9-19;1-2-35-25(34)18-13-28-31-21-14-29(23(32)15-8-9-19(26)20(27)12-15)11-10-17(21)24(33)30(22(18)31)16-6-4-3-5-7-16;2*1-2-25-18(24)14-10-20-22-15-11-19-9-8-13(15)17(23)21(16(14)22)12-6-4-3-5-7-12;13-11-8-14-7-6-10(11)12(16)15-9-4-2-1-3-5-9;1-11-8-4-3-7(6-10)5-9(8)12-2;8-5-2-1-4(7(10)11)3-6(5)9;7-5-3-8-2-1-4(5)6(9)10;1-2-10-6(9)5-3-7-8-4-5;7-6-4-2-1-3-5-6;1-2(4)7-3(5)6;/h5-11,14-15H,4,12-13,16-17H2,1-3H3;5-15,17H,4,16H2,1-3H3;3-9,12-13H,2,10-11,14H2,1H3;3-7,10,19H,2,8-9,11H2,1H3;3-11H,2H2,1H3;1-8H,(H,15,16);3-5H,6H2,1-2H3;1-3H,(H,10,11);1-3H,(H,9,10);3-4H,2H2,1H3,(H,7,8);1-5H,7H2;2H,1H3;1H/q;+1;;;;;;;;;;;.

What are the key properties of aniline;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;3,4-dichlorobenzoic acid;ethyl 12-(3,4-dichlorobenzoyl)-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydrobromide?

aniline;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;3,4-dichlorobenzoic acid;ethyl 12-(3,4-dichlorobenzoyl)-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydrobromide has a molecular weight of 3516.51 g/mol, XLogP of 28.40, 34 rotatable bonds, 6 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for aniline;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;3,4-dichlorobenzoic acid;ethyl 12-(3,4-dichlorobenzoyl)-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 12-[(3,4-dimethoxyphenyl)methyl]-8-oxo-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate;ethyl 8-oxo-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydrobromide is sourced from PubChem (CID 159305780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).