potassium;N-[(4-aminophenyl)methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;N-[[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;2,4-dichloro-5-(trifluoromethyl)pyrimidine;hydride;2-[2-[2-[2-[[4-[[2-hydroxyethyl-[hydroxy(methyl)boranyl]amino]methyl]phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-methyl-N-[(4-nitrophenyl)methyl]boronamidic acid;methane;methyl 2-(2-ethynylphenyl)acetate;4-(4-nitrophenyl)butan-1-ol;(4-nitrophenyl)methanamine

C156H198B6Cl3F15KN21O27 — CID 159643330

About potassium;N-[(4-aminophenyl)methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;N-[[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;2,4-dichloro-5-(trifluoromethyl)pyrimidine;hydride;2-[2-[2-[2-[[4-[[2-hydroxyethyl-[hydroxy(methyl)boranyl]amino]methyl]phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-methyl-N-[(4-nitrophenyl)methyl]boronamidic acid;methane;methyl 2-(2-ethynylphenyl)acetate;4-(4-nitrophenyl)butan-1-ol;(4-nitrophenyl)methanamine

potassium;N-[(4-aminophenyl)methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;N-[[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;2,4-dichloro-5-(trifluoromethyl)pyrimidine;hydride;2-[2-[2-[2-[[4-[[2-hydroxyethyl-[hydroxy(methyl)boranyl]amino]methyl]phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-methyl-N-[(4-nitrophenyl)methyl]boronamidic acid;methane;methyl 2-(2-ethynylphenyl)acetate;4-(4-nitrophenyl)butan-1-ol;(4-nitrophenyl)methanamine (PubChem CID 159643330) has the molecular formula C156H198B6Cl3F15KN21O27 and a molecular weight of 3294.72 g/mol. Its IUPAC name is potassium;N-[(4-aminophenyl)methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;N-[[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;2,4-dichloro-5-(trifluoromethyl)pyrimidine;hydride;2-[2-[2-[2-[[4-[[2-hydroxyethyl-[hydroxy(methyl)boranyl]amino]methyl]phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-methyl-N-[(4-nitrophenyl)methyl]boronamidic acid;methane;methyl 2-(2-ethynylphenyl)acetate;4-(4-nitrophenyl)butan-1-ol;(4-nitrophenyl)methanamine.

Molecular Properties

• Compound Name: potassium;N-[(4-aminophenyl)methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;N-[[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;2,4-dichloro-5-(trifluoromethyl)pyrimidine;hydride;2-[2-[2-[2-[[4-[[2-hydroxyethyl-[hydroxy(methyl)boranyl]amino]methyl]phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-methyl-N-[(4-nitrophenyl)methyl]boronamidic acid;methane;methyl 2-(2-ethynylphenyl)acetate;4-(4-nitrophenyl)butan-1-ol;(4-nitrophenyl)methanamine
• PubChem CID: 159643330
• Molecular Formula: C156H198B6Cl3F15KN21O27
• Molecular Weight: 3294.72 g/mol
• Exact Mass: 3292.38
• IUPAC Name: potassium;N-[(4-aminophenyl)methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;N-[[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;2,4-dichloro-5-(trifluoromethyl)pyrimidine;hydride;2-[2-[2-[2-[[4-[[2-hydroxyethyl-[hydroxy(methyl)boranyl]amino]methyl]phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-methyl-N-[(4-nitrophenyl)methyl]boronamidic acid;methane;methyl 2-(2-ethynylphenyl)acetate;4-(4-nitrophenyl)butan-1-ol;(4-nitrophenyl)methanamine
• SMILES: C.C.C.C.C.C.C.C#Cc1ccccc1CC(=O)OC.CB(O)N(CCO)Cc1ccc(Cc2ncc(C(F)(F)F)c(CCc3ccccc3CC(=O)O)n2)cc1.CB(O)N(CCO)Cc1ccc(Cc2ncc(C(F)(F)F)c(Cl)n2)cc1.CB(O)N(CCO)Cc1ccc(N)cc1.CB(O)N(CCO)Cc1ccc([N+](=O)[O-])cc1.COC(=O)Cc1ccccc1C#Cc1nc(Cc2ccc(CN(CCO)B(C)O)cc2)ncc1C(F)(F)F.COC(=O)Cc1ccccc1CCc1nc(Cc2ccc(CN(CCO)B(C)O)cc2)ncc1C(F)(F)F.FC(F)(F)c1cnc(Cl)nc1Cl.NCc1ccc([N+](=O)[O-])cc1.O=[N+]([O-])c1ccc(CCCCO)cc1.[H-].[K+]
• InChI: InChI=1S/C27H31BF3N3O4.C27H27BF3N3O4.C26H29BF3N3O4.C16H18BClF3N3O2.C11H10O2.C10H15BN2O4.C10H17BN2O2.C10H13NO3.C7H8N2O2.C5HCl2F3N2.7CH4.K.H/c2*1-28(37)34(13-14-35)18-20-9-7-19(8-10-20)15-25-32-17-23(27(29,30)31)24(33-25)12-11-21-5-3-4-6-22(21)16-26(36)38-2;1-27(37)33(12-13-34)17-19-8-6-18(7-9-19)14-24-31-16-22(26(28,29)30)23(32-24)11-10-20-4-2-3-5-21(20)15-25(35)36;1-17(26)24(6-7-25)10-12-4-2-11(3-5-12)8-14-22-9-13(15(18)23-14)16(19,20)21;1-3-9-6-4-5-7-10(9)8-11(12)13-2;1-11(15)12(6-7-14)8-9-2-4-10(5-3-9)13(16)17;1-11(15)13(6-7-14)8-9-2-4-10(12)5-3-9;12-8-2-1-3-9-4-6-10(7-5-9)11(13)14;8-5-6-1-3-7(4-2-6)9(10)11;6-3-2(5(8,9)10)1-11-4(7)12-3;;;;;;;;;/h3-10,17,35,37H,11-16,18H2,1-2H3;3-10,17,35,37H,13-16,18H2,1-2H3;2-9,16,34,37H,10-15,17H2,1H3,(H,35,36);2-5,9,25-26H,6-8,10H2,1H3;1,4-7H,8H2,2H3;2-5,14-15H,6-8H2,1H3;2-5,14-15H,6-8,12H2,1H3;4-7,12H,1-3,8H2;1-4H,5,8H2;1H;7*1H4;;/q;;;;;;;;;;;;;;;;;+1;-1
• InChIKey: LNDDZAQOPKXBBH-UHFFFAOYSA-N
• XLogP: 22.04
• TPSA: 708.99 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 44
• Rotatable Bonds: 60
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3294.72
LogP ≤ 5	22.04
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;N-[(4-aminophenyl)methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;N-[[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;2,4-dichloro-5-(trifluoromethyl)pyrimidine;hydride;2-[2-[2-[2-[[4-[[2-hydroxyethyl-[hydroxy(methyl)boranyl]amino]methyl]phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-methyl-N-[(4-nitrophenyl)methyl]boronamidic acid;methane;methyl 2-(2-ethynylphenyl)acetate;4-(4-nitrophenyl)butan-1-ol;(4-nitrophenyl)methanamine?

The IUPAC name of potassium;N-[(4-aminophenyl)methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;N-[[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;2,4-dichloro-5-(trifluoromethyl)pyrimidine;hydride;2-[2-[2-[2-[[4-[[2-hydroxyethyl-[hydroxy(methyl)boranyl]amino]methyl]phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-methyl-N-[(4-nitrophenyl)methyl]boronamidic acid;methane;methyl 2-(2-ethynylphenyl)acetate;4-(4-nitrophenyl)butan-1-ol;(4-nitrophenyl)methanamine (CID 159643330) is potassium;N-[(4-aminophenyl)methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;N-[[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;2,4-dichloro-5-(trifluoromethyl)pyrimidine;hydride;2-[2-[2-[2-[[4-[[2-hydroxyethyl-[hydroxy(methyl)boranyl]amino]methyl]phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-methyl-N-[(4-nitrophenyl)methyl]boronamidic acid;methane;methyl 2-(2-ethynylphenyl)acetate;4-(4-nitrophenyl)butan-1-ol;(4-nitrophenyl)methanamine.

What is the SMILES notation for potassium;N-[(4-aminophenyl)methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;N-[[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;2,4-dichloro-5-(trifluoromethyl)pyrimidine;hydride;2-[2-[2-[2-[[4-[[2-hydroxyethyl-[hydroxy(methyl)boranyl]amino]methyl]phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-methyl-N-[(4-nitrophenyl)methyl]boronamidic acid;methane;methyl 2-(2-ethynylphenyl)acetate;4-(4-nitrophenyl)butan-1-ol;(4-nitrophenyl)methanamine?

The canonical SMILES for potassium;N-[(4-aminophenyl)methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;N-[[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;2,4-dichloro-5-(trifluoromethyl)pyrimidine;hydride;2-[2-[2-[2-[[4-[[2-hydroxyethyl-[hydroxy(methyl)boranyl]amino]methyl]phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-methyl-N-[(4-nitrophenyl)methyl]boronamidic acid;methane;methyl 2-(2-ethynylphenyl)acetate;4-(4-nitrophenyl)butan-1-ol;(4-nitrophenyl)methanamine is C.C.C.C.C.C.C.C#Cc1ccccc1CC(=O)OC.CB(O)N(CCO)Cc1ccc(Cc2ncc(C(F)(F)F)c(CCc3ccccc3CC(=O)O)n2)cc1.CB(O)N(CCO)Cc1ccc(Cc2ncc(C(F)(F)F)c(Cl)n2)cc1.CB(O)N(CCO)Cc1ccc(N)cc1.CB(O)N(CCO)Cc1ccc([N+](=O)[O-])cc1.COC(=O)Cc1ccccc1C#Cc1nc(Cc2ccc(CN(CCO)B(C)O)cc2)ncc1C(F)(F)F.COC(=O)Cc1ccccc1CCc1nc(Cc2ccc(CN(CCO)B(C)O)cc2)ncc1C(F)(F)F.FC(F)(F)c1cnc(Cl)nc1Cl.NCc1ccc([N+](=O)[O-])cc1.O=[N+]([O-])c1ccc(CCCCO)cc1.[H-].[K+].

What is the InChIKey of potassium;N-[(4-aminophenyl)methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;N-[[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;2,4-dichloro-5-(trifluoromethyl)pyrimidine;hydride;2-[2-[2-[2-[[4-[[2-hydroxyethyl-[hydroxy(methyl)boranyl]amino]methyl]phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-methyl-N-[(4-nitrophenyl)methyl]boronamidic acid;methane;methyl 2-(2-ethynylphenyl)acetate;4-(4-nitrophenyl)butan-1-ol;(4-nitrophenyl)methanamine?

The InChIKey is LNDDZAQOPKXBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31BF3N3O4.C27H27BF3N3O4.C26H29BF3N3O4.C16H18BClF3N3O2.C11H10O2.C10H15BN2O4.C10H17BN2O2.C10H13NO3.C7H8N2O2.C5HCl2F3N2.7CH4.K.H/c2*1-28(37)34(13-14-35)18-20-9-7-19(8-10-20)15-25-32-17-23(27(29,30)31)24(33-25)12-11-21-5-3-4-6-22(21)16-26(36)38-2;1-27(37)33(12-13-34)17-19-8-6-18(7-9-19)14-24-31-16-22(26(28,29)30)23(32-24)11-10-20-4-2-3-5-21(20)15-25(35)36;1-17(26)24(6-7-25)10-12-4-2-11(3-5-12)8-14-22-9-13(15(18)23-14)16(19,20)21;1-3-9-6-4-5-7-10(9)8-11(12)13-2;1-11(15)12(6-7-14)8-9-2-4-10(5-3-9)13(16)17;1-11(15)13(6-7-14)8-9-2-4-10(12)5-3-9;12-8-2-1-3-9-4-6-10(7-5-9)11(13)14;8-5-6-1-3-7(4-2-6)9(10)11;6-3-2(5(8,9)10)1-11-4(7)12-3;;;;;;;;;/h3-10,17,35,37H,11-16,18H2,1-2H3;3-10,17,35,37H,13-16,18H2,1-2H3;2-9,16,34,37H,10-15,17H2,1H3,(H,35,36);2-5,9,25-26H,6-8,10H2,1H3;1,4-7H,8H2,2H3;2-5,14-15H,6-8H2,1H3;2-5,14-15H,6-8,12H2,1H3;4-7,12H,1-3,8H2;1-4H,5,8H2;1H;7*1H4;;/q;;;;;;;;;;;;;;;;;+1;-1.

What are the key properties of potassium;N-[(4-aminophenyl)methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;N-[[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;2,4-dichloro-5-(trifluoromethyl)pyrimidine;hydride;2-[2-[2-[2-[[4-[[2-hydroxyethyl-[hydroxy(methyl)boranyl]amino]methyl]phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-methyl-N-[(4-nitrophenyl)methyl]boronamidic acid;methane;methyl 2-(2-ethynylphenyl)acetate;4-(4-nitrophenyl)butan-1-ol;(4-nitrophenyl)methanamine?

potassium;N-[(4-aminophenyl)methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;N-[[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;2,4-dichloro-5-(trifluoromethyl)pyrimidine;hydride;2-[2-[2-[2-[[4-[[2-hydroxyethyl-[hydroxy(methyl)boranyl]amino]methyl]phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-methyl-N-[(4-nitrophenyl)methyl]boronamidic acid;methane;methyl 2-(2-ethynylphenyl)acetate;4-(4-nitrophenyl)butan-1-ol;(4-nitrophenyl)methanamine has a molecular weight of 3294.72 g/mol, XLogP of 22.04, 60 rotatable bonds, 16 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;N-[(4-aminophenyl)methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;N-[[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-N-(2-hydroxyethyl)-methylboronamidic acid;2,4-dichloro-5-(trifluoromethyl)pyrimidine;hydride;2-[2-[2-[2-[[4-[[2-hydroxyethyl-[hydroxy(methyl)boranyl]amino]methyl]phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-N-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]methyl]-methylboronamidic acid;N-(2-hydroxyethyl)-methyl-N-[(4-nitrophenyl)methyl]boronamidic acid;methane;methyl 2-(2-ethynylphenyl)acetate;4-(4-nitrophenyl)butan-1-ol;(4-nitrophenyl)methanamine is sourced from PubChem (CID 159643330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).