[(E)-[4-(dimethylamino)-1-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-oxobutan-2-ylidene]amino] nitroformate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-(furan-2-yl)-2-oxoethylidene]amino] 6-chlorohexanoate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]amino] acetate;[(Z)-[2-[4-(N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate

C145H156ClN15O23S — CID 172919781

IUPAC[(E)-[4-(dimethylamino)-1-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-oxobutan-2-ylidene]amino] nitroformate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-(furan-2-yl)-2-oxoethylidene]amino] 6-chlorohexanoate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]amino] acetate;[(Z)-[2-[4-(N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate
SMILESCC(=O)O/N=C(/C(=O)c1ccc(N(c2ccccc2)c2ccc(C(=O)C(C)(C)N3CCOCC3)cc2)cc1)c1cccs1.CCc1ccc(N(c2ccc(C(=O)/C(=N/OC(=O)CCCCCCl)c3ccco3)cc2)c2ccc(C(=O)C(C)(C)N3CCOCC3)cc2)cc1.CCc1ccc(N(c2ccc(C(=O)/C(=N/OC(C)=O)c3ccc[nH]3)cc2)c2ccc(C(=O)C(C)(C)N3CCOCC3)cc2)cc1.CCc1ccc(N(c2ccc(C(=O)/C(CCN(C)C)=N/OC(=O)[N+](=O)[O-])cc2)c2ccc(C(=O)C(C)(C)N3CCOCC3)cc2)cc1
InChIInChI=1S/C40H44ClN3O6.C36H38N4O5.C35H41N5O7.C34H33N3O5S/c1-4-29-11-17-32(18-12-29)44(34-21-15-31(16-22-34)39(47)40(2,3)43-24-27-48-28-25-43)33-19-13-30(14-20-33)38(46)37(35-9-8-26-49-35)42-50-36(45)10-6-5-7-23-41;1-5-26-8-14-29(15-9-26)40(31-18-12-28(13-19-31)35(43)36(3,4)39-21-23-44-24-22-39)30-16-10-27(11-17-30)34(42)33(38-45-25(2)41)32-7-6-20-37-32;1-6-25-7-13-28(14-8-25)39(30-17-11-27(12-18-30)33(42)35(2,3)38-21-23-46-24-22-38)29-15-9-26(10-16-29)32(41)31(19-20-37(4)5)36-47-34(43)40(44)45;1-24(38)42-35-31(30-10-7-23-43-30)32(39)25-11-15-28(16-12-25)37(27-8-5-4-6-9-27)29-17-13-26(14-18-29)33(40)34(2,3)36-19-21-41-22-20-36/h8-9,11-22,26H,4-7,10,23-25,27-28H2,1-3H3;6-20,37H,5,21-24H2,1-4H3;7-18H,6,19-24H2,1-5H3;4-18,23H,19-22H2,1-3H3/b42-37+;38-33+;36-31+;35-31+
InChIKeyYXFUGCQBERIBOR-FLEICZORSA-N
MW2544.44 g/mol
LogP27.60
Rot. Bonds50

About [(E)-[4-(dimethylamino)-1-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-oxobutan-2-ylidene]amino] nitroformate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-(furan-2-yl)-2-oxoethylidene]amino] 6-chlorohexanoate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]amino] acetate;[(Z)-[2-[4-(N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate

[(E)-[4-(dimethylamino)-1-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-oxobutan-2-ylidene]amino] nitroformate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-(furan-2-yl)-2-oxoethylidene]amino] 6-chlorohexanoate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]amino] acetate;[(Z)-[2-[4-(N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate (PubChem CID 172919781) has the molecular formula C145H156ClN15O23S and a molecular weight of 2544.44 g/mol. Its IUPAC name is [(E)-[4-(dimethylamino)-1-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-oxobutan-2-ylidene]amino] nitroformate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-(furan-2-yl)-2-oxoethylidene]amino] 6-chlorohexanoate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]amino] acetate;[(Z)-[2-[4-(N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate.

Molecular Properties

Compound Name[(E)-[4-(dimethylamino)-1-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-oxobutan-2-ylidene]amino] nitroformate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-(furan-2-yl)-2-oxoethylidene]amino] 6-chlorohexanoate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]amino] acetate;[(Z)-[2-[4-(N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate
PubChem CID172919781
Molecular FormulaC145H156ClN15O23S
Molecular Weight2544.44 g/mol
Exact Mass2542.09
IUPAC Name[(E)-[4-(dimethylamino)-1-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-oxobutan-2-ylidene]amino] nitroformate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-(furan-2-yl)-2-oxoethylidene]amino] 6-chlorohexanoate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]amino] acetate;[(Z)-[2-[4-(N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate
SMILESCC(=O)O/N=C(/C(=O)c1ccc(N(c2ccccc2)c2ccc(C(=O)C(C)(C)N3CCOCC3)cc2)cc1)c1cccs1.CCc1ccc(N(c2ccc(C(=O)/C(=N/OC(=O)CCCCCCl)c3ccco3)cc2)c2ccc(C(=O)C(C)(C)N3CCOCC3)cc2)cc1.CCc1ccc(N(c2ccc(C(=O)/C(=N/OC(C)=O)c3ccc[nH]3)cc2)c2ccc(C(=O)C(C)(C)N3CCOCC3)cc2)cc1.CCc1ccc(N(c2ccc(C(=O)/C(CCN(C)C)=N/OC(=O)[N+](=O)[O-])cc2)c2ccc(C(=O)C(C)(C)N3CCOCC3)cc2)cc1
InChIInChI=1S/C40H44ClN3O6.C36H38N4O5.C35H41N5O7.C34H33N3O5S/c1-4-29-11-17-32(18-12-29)44(34-21-15-31(16-22-34)39(47)40(2,3)43-24-27-48-28-25-43)33-19-13-30(14-20-33)38(46)37(35-9-8-26-49-35)42-50-36(45)10-6-5-7-23-41;1-5-26-8-14-29(15-9-26)40(31-18-12-28(13-19-31)35(43)36(3,4)39-21-23-44-24-22-39)30-16-10-27(11-17-30)34(42)33(38-45-25(2)41)32-7-6-20-37-32;1-6-25-7-13-28(14-8-25)39(30-17-11-27(12-18-30)33(42)35(2,3)38-21-23-46-24-22-38)29-15-9-26(10-16-29)32(41)31(19-20-37(4)5)36-47-34(43)40(44)45;1-24(38)42-35-31(30-10-7-23-43-30)32(39)25-11-15-28(16-12-25)37(27-8-5-4-6-9-27)29-17-13-26(14-18-29)33(40)34(2,3)36-19-21-41-22-20-36/h8-9,11-22,26H,4-7,10,23-25,27-28H2,1-3H3;6-20,37H,5,21-24H2,1-4H3;7-18H,6,19-24H2,1-5H3;4-18,23H,19-22H2,1-3H3/b42-37+;38-33+;36-31+;35-31+
InChIKeyYXFUGCQBERIBOR-FLEICZORSA-N
XLogP27.60
TPSA429.35 Ų
H-Bond Donors1
H-Bond Acceptors37
Rotatable Bonds50
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002544.44
LogP ≤ 527.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze [(E)-[4-(dimethylamino)-1-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-oxobutan-2-ylidene]amino] nitroformate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-(furan-2-yl)-2-oxoethylidene]amino] 6-chlorohexanoate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]amino] acetate;[(Z)-[2-[4-(N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate with MolForge

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Related Compounds

[(Z)-[2-[4-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]sulfanylphenyl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate
CID 162463792
[(E)-1-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]octylideneamino] acetate
CID 162463796
[(E)-[1-[7-[(2E)-2-acetyloxyiminooctanoyl]-9-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]-9H-fluoren-2-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[3-cyclohexyl-1-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[1-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[1-[4-(N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-oxooctan-2-ylidene]amino] acetate
CID 172930424
[(E)-[1-[4-[2-benzoyl-4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]sulfanylphenyl]-6-isocyanato-1-oxohexan-2-ylidene]amino] thiophene-2-carboxylate;[(E)-[3-butoxy-1-[4-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]sulfanylphenyl]-1-oxopropan-2-ylidene]amino] furan-2-carboxylate;[(E)-[1-[4-[4-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(sulfanylmethyl)phenyl]sulfanylphenyl]-1-oxo-5-sulfanylpentan-2-ylidene]amino] heptanoate
CID 172930141
[(E)-[1-[6-(2-methyl-2-morpholin-4-ylpropanoyl)-9H-fluoren-3-yl]-1-oxooctan-2-ylidene]amino] acetate
CID 162463529
[3-[[2-[4-[4-[(2E)-2-acetyloxyimino-4-prop-2-enoyloxybutanoyl]-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino]phenyl]-2-oxoethylidene]amino]-4-oxopentyl] prop-2-enoate;[(E)-[1-[4-(N-[2-chloro-4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]-4-ethylanilino)phenyl]-2-(2-hydroxycyclohexyl)ethylidene]amino] acetate;[(E)-[[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)-2-nitrophenyl]-phenylmethylidene]amino] acetate
CID 172973396
(6E)-6-acetyloxyimino-7-[9-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]carbazol-3-yl]-7-oxoheptanoic acid
CID 162463508
[(E)-[1-[9-ethyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-1-oxo-5-sulfanylpentan-2-ylidene]amino] heptanoate
CID 162463671
[(E)-[1-[9,9-diethyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)fluoren-3-yl]-6-isocyanato-1-oxohexan-2-ylidene]amino] thiophene-2-carboxylate
CID 162463552
[(Z)-[1-chloro-2-[9-ethyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-oxoethylidene]amino] acetate
CID 162463656
1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 139636623
(6E)-6-carbonocyanidoyloxyimino-7-[4-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]sulfanylphenyl]-7-oxoheptanoic acid
CID 162463612

Frequently Asked Questions

What is the IUPAC name of [(E)-[4-(dimethylamino)-1-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-oxobutan-2-ylidene]amino] nitroformate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-(furan-2-yl)-2-oxoethylidene]amino] 6-chlorohexanoate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]amino] acetate;[(Z)-[2-[4-(N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate?
The IUPAC name of [(E)-[4-(dimethylamino)-1-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-oxobutan-2-ylidene]amino] nitroformate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-(furan-2-yl)-2-oxoethylidene]amino] 6-chlorohexanoate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]amino] acetate;[(Z)-[2-[4-(N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate (CID 172919781) is [(E)-[4-(dimethylamino)-1-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-oxobutan-2-ylidene]amino] nitroformate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-(furan-2-yl)-2-oxoethylidene]amino] 6-chlorohexanoate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]amino] acetate;[(Z)-[2-[4-(N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate.
What is the SMILES notation for [(E)-[4-(dimethylamino)-1-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-oxobutan-2-ylidene]amino] nitroformate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-(furan-2-yl)-2-oxoethylidene]amino] 6-chlorohexanoate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]amino] acetate;[(Z)-[2-[4-(N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate?
The canonical SMILES for [(E)-[4-(dimethylamino)-1-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-oxobutan-2-ylidene]amino] nitroformate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-(furan-2-yl)-2-oxoethylidene]amino] 6-chlorohexanoate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]amino] acetate;[(Z)-[2-[4-(N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate is CC(=O)O/N=C(/C(=O)c1ccc(N(c2ccccc2)c2ccc(C(=O)C(C)(C)N3CCOCC3)cc2)cc1)c1cccs1.CCc1ccc(N(c2ccc(C(=O)/C(=N/OC(=O)CCCCCCl)c3ccco3)cc2)c2ccc(C(=O)C(C)(C)N3CCOCC3)cc2)cc1.CCc1ccc(N(c2ccc(C(=O)/C(=N/OC(C)=O)c3ccc[nH]3)cc2)c2ccc(C(=O)C(C)(C)N3CCOCC3)cc2)cc1.CCc1ccc(N(c2ccc(C(=O)/C(CCN(C)C)=N/OC(=O)[N+](=O)[O-])cc2)c2ccc(C(=O)C(C)(C)N3CCOCC3)cc2)cc1.
What is the InChIKey of [(E)-[4-(dimethylamino)-1-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-oxobutan-2-ylidene]amino] nitroformate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-(furan-2-yl)-2-oxoethylidene]amino] 6-chlorohexanoate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]amino] acetate;[(Z)-[2-[4-(N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate?
The InChIKey is YXFUGCQBERIBOR-FLEICZORSA-N. The full InChI is InChI=1S/C40H44ClN3O6.C36H38N4O5.C35H41N5O7.C34H33N3O5S/c1-4-29-11-17-32(18-12-29)44(34-21-15-31(16-22-34)39(47)40(2,3)43-24-27-48-28-25-43)33-19-13-30(14-20-33)38(46)37(35-9-8-26-49-35)42-50-36(45)10-6-5-7-23-41;1-5-26-8-14-29(15-9-26)40(31-18-12-28(13-19-31)35(43)36(3,4)39-21-23-44-24-22-39)30-16-10-27(11-17-30)34(42)33(38-45-25(2)41)32-7-6-20-37-32;1-6-25-7-13-28(14-8-25)39(30-17-11-27(12-18-30)33(42)35(2,3)38-21-23-46-24-22-38)29-15-9-26(10-16-29)32(41)31(19-20-37(4)5)36-47-34(43)40(44)45;1-24(38)42-35-31(30-10-7-23-43-30)32(39)25-11-15-28(16-12-25)37(27-8-5-4-6-9-27)29-17-13-26(14-18-29)33(40)34(2,3)36-19-21-41-22-20-36/h8-9,11-22,26H,4-7,10,23-25,27-28H2,1-3H3;6-20,37H,5,21-24H2,1-4H3;7-18H,6,19-24H2,1-5H3;4-18,23H,19-22H2,1-3H3/b42-37+;38-33+;36-31+;35-31+.
What are the key properties of [(E)-[4-(dimethylamino)-1-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-oxobutan-2-ylidene]amino] nitroformate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-(furan-2-yl)-2-oxoethylidene]amino] 6-chlorohexanoate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]amino] acetate;[(Z)-[2-[4-(N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate?
[(E)-[4-(dimethylamino)-1-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-oxobutan-2-ylidene]amino] nitroformate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-(furan-2-yl)-2-oxoethylidene]amino] 6-chlorohexanoate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]amino] acetate;[(Z)-[2-[4-(N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate has a molecular weight of 2544.44 g/mol, XLogP of 27.60, 50 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[4-(dimethylamino)-1-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-oxobutan-2-ylidene]amino] nitroformate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-1-(furan-2-yl)-2-oxoethylidene]amino] 6-chlorohexanoate;[(E)-[2-[4-(4-ethyl-N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]amino] acetate;[(Z)-[2-[4-(N-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]anilino)phenyl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate is sourced from PubChem (CID 172919781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).