6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;3-chloro-5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol

C133H118Br2Cl5F21N34O15 — CID 172971297

IUPAC6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;3-chloro-5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESCCN(CC)c1ccc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c(O)c1.O=C(Nc1cccc(C(F)(F)F)c1)c1c(Br)cc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c(O)c1Cl.O=C(Nc1cccc(C(F)(F)F)c1)c1c(Br)cc(Cl)c(O)c1/C=N\Nc1ncc(F)c(N2CCOCC2)n1.O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)c(O)c(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c1.Oc1c(Cl)cc(-c2cccc(C(F)(F)F)c2)cc1/C=N\Nc1ncc(F)c(N2CCOCC2)n1.Oc1c(Cl)cc(Cc2cccc(C(F)(F)F)c2)cc1/C=N\Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/2C23H18BrClF4N6O3.C23H19ClF4N6O3.C23H20ClF4N5O2.C22H18ClF4N5O2.C19H25FN6O2/c24-15-8-12(10-31-34-22-30-11-16(26)20(33-22)35-4-6-38-7-5-35)19(36)18(25)17(15)21(37)32-14-3-1-2-13(9-14)23(27,28)29;24-15-9-16(25)19(36)14(18(15)21(37)32-13-3-1-2-12(8-13)23(27,28)29)10-31-34-22-30-11-17(26)20(33-22)35-4-6-38-7-5-35;24-17-9-13(21(36)31-16-3-1-2-15(10-16)23(26,27)28)8-14(19(17)35)11-30-33-22-29-12-18(25)20(32-22)34-4-6-37-7-5-34;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;23-17-10-14(13-2-1-3-16(9-13)22(25,26)27)8-15(19(17)33)11-29-31-21-28-12-18(24)20(30-21)32-4-6-34-7-5-32;1-3-25(4-2)15-6-5-14(17(27)11-15)12-22-24-19-21-13-16(20)18(23-19)26-7-9-28-10-8-26/h2*1-3,8-11,36H,4-7H2,(H,32,37)(H,30,33,34);1-3,8-12,35H,4-7H2,(H,31,36)(H,29,32,33);1-3,9-13,34H,4-8H2,(H,29,31,32);1-3,8-12,33H,4-7H2,(H,28,30,31);5-6,11-13,27H,3-4,7-10H2,1-2H3,(H,21,23,24)/b31-10+;31-10-;30-11-;30-12-;29-11-;22-12-
InChIKeyMIDHXFXUUKTNHD-CJWSZJAVSA-N
MW3168.66 g/mol
LogP27.37
Rot. Bonds36

About 6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;3-chloro-5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol

6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;3-chloro-5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 172971297) has the molecular formula C133H118Br2Cl5F21N34O15 and a molecular weight of 3168.66 g/mol. Its IUPAC name is 6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;3-chloro-5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;3-chloro-5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID172971297
Molecular FormulaC133H118Br2Cl5F21N34O15
Molecular Weight3168.66 g/mol
Exact Mass3162.60
IUPAC Name6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;3-chloro-5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESCCN(CC)c1ccc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c(O)c1.O=C(Nc1cccc(C(F)(F)F)c1)c1c(Br)cc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c(O)c1Cl.O=C(Nc1cccc(C(F)(F)F)c1)c1c(Br)cc(Cl)c(O)c1/C=N\Nc1ncc(F)c(N2CCOCC2)n1.O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)c(O)c(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c1.Oc1c(Cl)cc(-c2cccc(C(F)(F)F)c2)cc1/C=N\Nc1ncc(F)c(N2CCOCC2)n1.Oc1c(Cl)cc(Cc2cccc(C(F)(F)F)c2)cc1/C=N\Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/2C23H18BrClF4N6O3.C23H19ClF4N6O3.C23H20ClF4N5O2.C22H18ClF4N5O2.C19H25FN6O2/c24-15-8-12(10-31-34-22-30-11-16(26)20(33-22)35-4-6-38-7-5-35)19(36)18(25)17(15)21(37)32-14-3-1-2-13(9-14)23(27,28)29;24-15-9-16(25)19(36)14(18(15)21(37)32-13-3-1-2-12(8-13)23(27,28)29)10-31-34-22-30-11-17(26)20(33-22)35-4-6-38-7-5-35;24-17-9-13(21(36)31-16-3-1-2-15(10-16)23(26,27)28)8-14(19(17)35)11-30-33-22-29-12-18(25)20(32-22)34-4-6-37-7-5-34;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;23-17-10-14(13-2-1-3-16(9-13)22(25,26)27)8-15(19(17)33)11-29-31-21-28-12-18(24)20(30-21)32-4-6-34-7-5-32;1-3-25(4-2)15-6-5-14(17(27)11-15)12-22-24-19-21-13-16(20)18(23-19)26-7-9-28-10-8-26/h2*1-3,8-11,36H,4-7H2,(H,32,37)(H,30,33,34);1-3,8-12,35H,4-7H2,(H,31,36)(H,29,32,33);1-3,9-13,34H,4-8H2,(H,29,31,32);1-3,8-12,33H,4-7H2,(H,28,30,31);5-6,11-13,27H,3-4,7-10H2,1-2H3,(H,21,23,24)/b31-10+;31-10-;30-11-;30-12-;29-11-;22-12-
InChIKeyMIDHXFXUUKTNHD-CJWSZJAVSA-N
XLogP27.37
TPSA587.76 Ų
H-Bond Donors15
H-Bond Acceptors46
Rotatable Bonds36
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003168.66
LogP ≤ 527.37
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1046

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 6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;3-chloro-5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;5-(diethylamino)-2-[(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 6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;3-chloro-5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;3-chloro-5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (CID 172971297) is 6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;3-chloro-5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;3-chloro-5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;3-chloro-5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is CCN(CC)c1ccc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c(O)c1.O=C(Nc1cccc(C(F)(F)F)c1)c1c(Br)cc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c(O)c1Cl.O=C(Nc1cccc(C(F)(F)F)c1)c1c(Br)cc(Cl)c(O)c1/C=N\Nc1ncc(F)c(N2CCOCC2)n1.O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)c(O)c(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c1.Oc1c(Cl)cc(-c2cccc(C(F)(F)F)c2)cc1/C=N\Nc1ncc(F)c(N2CCOCC2)n1.Oc1c(Cl)cc(Cc2cccc(C(F)(F)F)c2)cc1/C=N\Nc1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of 6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;3-chloro-5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is MIDHXFXUUKTNHD-CJWSZJAVSA-N. The full InChI is InChI=1S/2C23H18BrClF4N6O3.C23H19ClF4N6O3.C23H20ClF4N5O2.C22H18ClF4N5O2.C19H25FN6O2/c24-15-8-12(10-31-34-22-30-11-16(26)20(33-22)35-4-6-38-7-5-35)19(36)18(25)17(15)21(37)32-14-3-1-2-13(9-14)23(27,28)29;24-15-9-16(25)19(36)14(18(15)21(37)32-13-3-1-2-12(8-13)23(27,28)29)10-31-34-22-30-11-17(26)20(33-22)35-4-6-38-7-5-35;24-17-9-13(21(36)31-16-3-1-2-15(10-16)23(26,27)28)8-14(19(17)35)11-30-33-22-29-12-18(25)20(32-22)34-4-6-37-7-5-34;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;23-17-10-14(13-2-1-3-16(9-13)22(25,26)27)8-15(19(17)33)11-29-31-21-28-12-18(24)20(30-21)32-4-6-34-7-5-32;1-3-25(4-2)15-6-5-14(17(27)11-15)12-22-24-19-21-13-16(20)18(23-19)26-7-9-28-10-8-26/h2*1-3,8-11,36H,4-7H2,(H,32,37)(H,30,33,34);1-3,8-12,35H,4-7H2,(H,31,36)(H,29,32,33);1-3,9-13,34H,4-8H2,(H,29,31,32);1-3,8-12,33H,4-7H2,(H,28,30,31);5-6,11-13,27H,3-4,7-10H2,1-2H3,(H,21,23,24)/b31-10+;31-10-;30-11-;30-12-;29-11-;22-12-.
What are the key properties of 6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;3-chloro-5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;3-chloro-5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 3168.66 g/mol, XLogP of 27.37, 36 rotatable bonds, 15 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;6-bromo-4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;3-chloro-5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 172971297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).