1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]phenol;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-4-(2-chloro-6-methylphenyl)-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-4-[(2-chloro-6-methylphenyl)methyl]-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol

C137H119Br3Cl9F15N30O13 — CID 172952239

IUPAC1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]phenol;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-4-(2-chloro-6-methylphenyl)-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-4-[(2-chloro-6-methylphenyl)methyl]-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol
SMILESCc1cccc(Cl)c1-c1cc(Cl)c(O)c(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c1.Cc1cccc(Cl)c1CC(=O)c1c(Br)cc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c(O)c1Cl.Cc1cccc(Cl)c1Cc1cc(Cl)c(O)c(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c1.Oc1c(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)cc(Br)c(-c2cccc(C(F)(F)F)c2)c1Cl.Oc1c(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)cc(Br)c(Cc2cccc(C(F)(F)F)c2)c1Cl.Oc1c(Cl)cc(Cc2cccc(C(F)(F)F)c2)cc1/C=N\Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C24H21BrCl2FN5O3.C23H19BrClF4N5O2.C23H22Cl2FN5O2.C23H20ClF4N5O2.C22H17BrClF4N5O2.C22H20Cl2FN5O2/c1-13-3-2-4-17(26)15(13)10-19(34)20-16(25)9-14(22(35)21(20)27)11-30-32-24-29-12-18(28)23(31-24)33-5-7-36-8-6-33;24-17-10-14(11-31-33-22-30-12-18(26)21(32-22)34-4-6-36-7-5-34)20(35)19(25)16(17)9-13-2-1-3-15(8-13)23(27,28)29;1-14-3-2-4-18(24)17(14)10-15-9-16(21(32)19(25)11-15)12-28-30-23-27-13-20(26)22(29-23)31-5-7-33-8-6-31;24-18-11-15(8-14-2-1-3-17(10-14)23(26,27)28)9-16(20(18)34)12-30-32-22-29-13-19(25)21(31-22)33-4-6-35-7-5-33;23-15-9-13(19(34)18(24)17(15)12-2-1-3-14(8-12)22(26,27)28)10-30-32-21-29-11-16(25)20(31-21)33-4-6-35-7-5-33;1-13-3-2-4-16(23)19(13)14-9-15(20(31)17(24)10-14)11-27-29-22-26-12-18(25)21(28-22)30-5-7-32-8-6-30/h2-4,9,11-12,35H,5-8,10H2,1H3,(H,29,31,32);1-3,8,10-12,35H,4-7,9H2,(H,30,32,33);2-4,9,11-13,32H,5-8,10H2,1H3,(H,27,29,30);1-3,9-13,34H,4-8H2,(H,29,31,32);1-3,8-11,34H,4-7H2,(H,29,31,32);2-4,9-12,31H,5-8H2,1H3,(H,26,28,29)/b30-11+;31-11-;28-12-;30-12-;30-10-;27-11-
InChIKeyVJYMBPAFVCEEOD-YUUGGUFNSA-N
MW3237.41 g/mol
LogP31.30
Rot. Bonds35

About 1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]phenol;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-4-(2-chloro-6-methylphenyl)-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-4-[(2-chloro-6-methylphenyl)methyl]-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol

1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]phenol;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-4-(2-chloro-6-methylphenyl)-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-4-[(2-chloro-6-methylphenyl)methyl]-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol (PubChem CID 172952239) has the molecular formula C137H119Br3Cl9F15N30O13 and a molecular weight of 3237.41 g/mol. Its IUPAC name is 1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]phenol;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-4-(2-chloro-6-methylphenyl)-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-4-[(2-chloro-6-methylphenyl)methyl]-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol.

Molecular Properties

Compound Name1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]phenol;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-4-(2-chloro-6-methylphenyl)-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-4-[(2-chloro-6-methylphenyl)methyl]-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol
PubChem CID172952239
Molecular FormulaC137H119Br3Cl9F15N30O13
Molecular Weight3237.41 g/mol
Exact Mass3228.41
IUPAC Name1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]phenol;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-4-(2-chloro-6-methylphenyl)-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-4-[(2-chloro-6-methylphenyl)methyl]-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol
SMILESCc1cccc(Cl)c1-c1cc(Cl)c(O)c(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c1.Cc1cccc(Cl)c1CC(=O)c1c(Br)cc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c(O)c1Cl.Cc1cccc(Cl)c1Cc1cc(Cl)c(O)c(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c1.Oc1c(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)cc(Br)c(-c2cccc(C(F)(F)F)c2)c1Cl.Oc1c(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)cc(Br)c(Cc2cccc(C(F)(F)F)c2)c1Cl.Oc1c(Cl)cc(Cc2cccc(C(F)(F)F)c2)cc1/C=N\Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C24H21BrCl2FN5O3.C23H19BrClF4N5O2.C23H22Cl2FN5O2.C23H20ClF4N5O2.C22H17BrClF4N5O2.C22H20Cl2FN5O2/c1-13-3-2-4-17(26)15(13)10-19(34)20-16(25)9-14(22(35)21(20)27)11-30-32-24-29-12-18(28)23(31-24)33-5-7-36-8-6-33;24-17-10-14(11-31-33-22-30-12-18(26)21(32-22)34-4-6-36-7-5-34)20(35)19(25)16(17)9-13-2-1-3-15(8-13)23(27,28)29;1-14-3-2-4-18(24)17(14)10-15-9-16(21(32)19(25)11-15)12-28-30-23-27-13-20(26)22(29-23)31-5-7-33-8-6-31;24-18-11-15(8-14-2-1-3-17(10-14)23(26,27)28)9-16(20(18)34)12-30-32-22-29-13-19(25)21(31-22)33-4-6-35-7-5-33;23-15-9-13(19(34)18(24)17(15)12-2-1-3-14(8-12)22(26,27)28)10-30-32-21-29-11-16(25)20(31-21)33-4-6-35-7-5-33;1-13-3-2-4-16(23)19(13)14-9-15(20(31)17(24)10-14)11-27-29-22-26-12-18(25)21(28-22)30-5-7-32-8-6-30/h2-4,9,11-12,35H,5-8,10H2,1H3,(H,29,31,32);1-3,8,10-12,35H,4-7,9H2,(H,30,32,33);2-4,9,11-13,32H,5-8,10H2,1H3,(H,27,29,30);1-3,9-13,34H,4-8H2,(H,29,31,32);1-3,8-11,34H,4-7H2,(H,29,31,32);2-4,9-12,31H,5-8H2,1H3,(H,26,28,29)/b30-11+;31-11-;28-12-;30-12-;30-10-;27-11-
InChIKeyVJYMBPAFVCEEOD-YUUGGUFNSA-N
XLogP31.30
TPSA514.29 Ų
H-Bond Donors12
H-Bond Acceptors43
Rotatable Bonds35
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003237.41
LogP ≤ 531.30
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]phenol;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-4-(2-chloro-6-methylphenyl)-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-4-[(2-chloro-6-methylphenyl)methyl]-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]phenol;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-4-(2-chloro-6-methylphenyl)-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-4-[(2-chloro-6-methylphenyl)methyl]-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol?
The IUPAC name of 1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]phenol;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-4-(2-chloro-6-methylphenyl)-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-4-[(2-chloro-6-methylphenyl)methyl]-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol (CID 172952239) is 1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]phenol;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-4-(2-chloro-6-methylphenyl)-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-4-[(2-chloro-6-methylphenyl)methyl]-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol.
What is the SMILES notation for 1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]phenol;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-4-(2-chloro-6-methylphenyl)-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-4-[(2-chloro-6-methylphenyl)methyl]-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol?
The canonical SMILES for 1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]phenol;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-4-(2-chloro-6-methylphenyl)-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-4-[(2-chloro-6-methylphenyl)methyl]-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol is Cc1cccc(Cl)c1-c1cc(Cl)c(O)c(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c1.Cc1cccc(Cl)c1CC(=O)c1c(Br)cc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c(O)c1Cl.Cc1cccc(Cl)c1Cc1cc(Cl)c(O)c(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c1.Oc1c(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)cc(Br)c(-c2cccc(C(F)(F)F)c2)c1Cl.Oc1c(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)cc(Br)c(Cc2cccc(C(F)(F)F)c2)c1Cl.Oc1c(Cl)cc(Cc2cccc(C(F)(F)F)c2)cc1/C=N\Nc1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of 1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]phenol;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-4-(2-chloro-6-methylphenyl)-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-4-[(2-chloro-6-methylphenyl)methyl]-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol?
The InChIKey is VJYMBPAFVCEEOD-YUUGGUFNSA-N. The full InChI is InChI=1S/C24H21BrCl2FN5O3.C23H19BrClF4N5O2.C23H22Cl2FN5O2.C23H20ClF4N5O2.C22H17BrClF4N5O2.C22H20Cl2FN5O2/c1-13-3-2-4-17(26)15(13)10-19(34)20-16(25)9-14(22(35)21(20)27)11-30-32-24-29-12-18(28)23(31-24)33-5-7-36-8-6-33;24-17-10-14(11-31-33-22-30-12-18(26)21(32-22)34-4-6-36-7-5-34)20(35)19(25)16(17)9-13-2-1-3-15(8-13)23(27,28)29;1-14-3-2-4-18(24)17(14)10-15-9-16(21(32)19(25)11-15)12-28-30-23-27-13-20(26)22(29-23)31-5-7-33-8-6-31;24-18-11-15(8-14-2-1-3-17(10-14)23(26,27)28)9-16(20(18)34)12-30-32-22-29-13-19(25)21(31-22)33-4-6-35-7-5-33;23-15-9-13(19(34)18(24)17(15)12-2-1-3-14(8-12)22(26,27)28)10-30-32-21-29-11-16(25)20(31-21)33-4-6-35-7-5-33;1-13-3-2-4-16(23)19(13)14-9-15(20(31)17(24)10-14)11-27-29-22-26-12-18(25)21(28-22)30-5-7-32-8-6-30/h2-4,9,11-12,35H,5-8,10H2,1H3,(H,29,31,32);1-3,8,10-12,35H,4-7,9H2,(H,30,32,33);2-4,9,11-13,32H,5-8,10H2,1H3,(H,27,29,30);1-3,9-13,34H,4-8H2,(H,29,31,32);1-3,8-11,34H,4-7H2,(H,29,31,32);2-4,9-12,31H,5-8H2,1H3,(H,26,28,29)/b30-11+;31-11-;28-12-;30-12-;30-10-;27-11-.
What are the key properties of 1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]phenol;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-4-(2-chloro-6-methylphenyl)-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-4-[(2-chloro-6-methylphenyl)methyl]-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol?
1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]phenol;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-4-(2-chloro-6-methylphenyl)-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-4-[(2-chloro-6-methylphenyl)methyl]-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol has a molecular weight of 3237.41 g/mol, XLogP of 31.30, 35 rotatable bonds, 12 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]phenol;4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-4-(2-chloro-6-methylphenyl)-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-4-[(2-chloro-6-methylphenyl)methyl]-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol is sourced from PubChem (CID 172952239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).