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

C161H139Br5Cl12F13N35O17 — CID 172942878

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;1-[6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chlorophenyl)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
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)c1CC(=O)c1c(Br)cc(Cl)c(O)c1/C=N\Nc1ncc(F)c(N2CCOCC2)n1.Cc1cccc(Cl)c1Cc1cc(Cl)c(O)c(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c1.O=C(Cc1ccccc1Cl)c1c(Br)cc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c(O)c1Cl.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
InChIInChI=1S/2C24H21BrCl2FN5O3.C23H19BrCl2FN5O3.C23H19BrClF4N5O2.C23H22Cl2FN5O2.C22H17BrClF4N5O2.C22H20Cl2FN5O2/c1-13-3-2-4-17(26)14(13)9-20(34)21-15(22(35)18(27)10-16(21)25)11-30-32-24-29-12-19(28)23(31-24)33-5-7-36-8-6-33;1-13-3-2-4-17(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;24-15-9-14(21(34)20(26)19(15)18(33)10-13-3-1-2-4-16(13)25)11-29-31-23-28-12-17(27)22(30-23)32-5-7-35-8-6-32;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;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/h2-4,10-12,35H,5-9H2,1H3,(H,29,31,32);2-4,9,11-12,35H,5-8,10H2,1H3,(H,29,31,32);1-4,9,11-12,34H,5-8,10H2,(H,28,30,31);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);1-3,8-11,34H,4-7H2,(H,29,31,32);2-4,9-12,31H,5-8H2,1H3,(H,26,28,29)/b30-11-;30-11+;29-11+;31-11-;28-12-;30-10-;27-11-
InChIKeyCNANTSOODHPWBY-OTBBONASSA-N
MW3908.04 g/mol
LogP36.94
Rot. Bonds43

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

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;1-[6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chlorophenyl)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 (PubChem CID 172942878) has the molecular formula C161H139Br5Cl12F13N35O17 and a molecular weight of 3908.04 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;1-[6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chlorophenyl)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.

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;1-[6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chlorophenyl)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
PubChem CID172942878
Molecular FormulaC161H139Br5Cl12F13N35O17
Molecular Weight3908.04 g/mol
Exact Mass3895.31
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;1-[6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chlorophenyl)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
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)c1CC(=O)c1c(Br)cc(Cl)c(O)c1/C=N\Nc1ncc(F)c(N2CCOCC2)n1.Cc1cccc(Cl)c1Cc1cc(Cl)c(O)c(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c1.O=C(Cc1ccccc1Cl)c1c(Br)cc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c(O)c1Cl.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
InChIInChI=1S/2C24H21BrCl2FN5O3.C23H19BrCl2FN5O3.C23H19BrClF4N5O2.C23H22Cl2FN5O2.C22H17BrClF4N5O2.C22H20Cl2FN5O2/c1-13-3-2-4-17(26)14(13)9-20(34)21-15(22(35)18(27)10-16(21)25)11-30-32-24-29-12-19(28)23(31-24)33-5-7-36-8-6-33;1-13-3-2-4-17(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;24-15-9-14(21(34)20(26)19(15)18(33)10-13-3-1-2-4-16(13)25)11-29-31-23-28-12-17(27)22(30-23)32-5-7-35-8-6-32;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;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/h2-4,10-12,35H,5-9H2,1H3,(H,29,31,32);2-4,9,11-12,35H,5-8,10H2,1H3,(H,29,31,32);1-4,9,11-12,34H,5-8,10H2,(H,28,30,31);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);1-3,8-11,34H,4-7H2,(H,29,31,32);2-4,9-12,31H,5-8H2,1H3,(H,26,28,29)/b30-11-;30-11+;29-11+;31-11-;28-12-;30-10-;27-11-
InChIKeyCNANTSOODHPWBY-OTBBONASSA-N
XLogP36.94
TPSA631.30 Ų
H-Bond Donors14
H-Bond Acceptors52
Rotatable Bonds43
Heavy Atoms243
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003908.04
LogP ≤ 536.94
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1052

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;1-[6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chlorophenyl)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 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;1-[6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chlorophenyl)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?
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;1-[6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chlorophenyl)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 (CID 172942878) 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;1-[6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chlorophenyl)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.
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;1-[6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chlorophenyl)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?
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;1-[6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chlorophenyl)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 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)c1CC(=O)c1c(Br)cc(Cl)c(O)c1/C=N\Nc1ncc(F)c(N2CCOCC2)n1.Cc1cccc(Cl)c1Cc1cc(Cl)c(O)c(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c1.O=C(Cc1ccccc1Cl)c1c(Br)cc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c(O)c1Cl.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.
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;1-[6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chlorophenyl)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?
The InChIKey is CNANTSOODHPWBY-OTBBONASSA-N. The full InChI is InChI=1S/2C24H21BrCl2FN5O3.C23H19BrCl2FN5O3.C23H19BrClF4N5O2.C23H22Cl2FN5O2.C22H17BrClF4N5O2.C22H20Cl2FN5O2/c1-13-3-2-4-17(26)14(13)9-20(34)21-15(22(35)18(27)10-16(21)25)11-30-32-24-29-12-19(28)23(31-24)33-5-7-36-8-6-33;1-13-3-2-4-17(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;24-15-9-14(21(34)20(26)19(15)18(33)10-13-3-1-2-4-16(13)25)11-29-31-23-28-12-17(27)22(30-23)32-5-7-35-8-6-32;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;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/h2-4,10-12,35H,5-9H2,1H3,(H,29,31,32);2-4,9,11-12,35H,5-8,10H2,1H3,(H,29,31,32);1-4,9,11-12,34H,5-8,10H2,(H,28,30,31);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);1-3,8-11,34H,4-7H2,(H,29,31,32);2-4,9-12,31H,5-8H2,1H3,(H,26,28,29)/b30-11-;30-11+;29-11+;31-11-;28-12-;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;1-[6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chlorophenyl)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?
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;1-[6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chlorophenyl)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 has a molecular weight of 3908.04 g/mol, XLogP of 36.94, 43 rotatable bonds, 14 hydrogen bond donors, and 52 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;1-[6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chloro-6-methylphenyl)ethanone;1-[6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]-2-(2-chlorophenyl)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 is sourced from PubChem (CID 172942878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).