[4-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]phenyl]anilino]benzoyl]-2,6-dimethoxyphenyl] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-[4-(N-acetyloxy-C-methylcarbonimidoyl)phenyl]sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(4-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]ethylideneamino] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-(4-nitrophenyl)sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(thiophene-2-carbonyl)phenyl]anilino]phenyl]ethylideneamino] acetate

C195H168N18O33S3 — CID 172957723

IUPAC[4-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]phenyl]anilino]benzoyl]-2,6-dimethoxyphenyl] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-[4-(N-acetyloxy-C-methylcarbonimidoyl)phenyl]sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(4-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]ethylideneamino] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-(4-nitrophenyl)sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(thiophene-2-carbonyl)phenyl]anilino]phenyl]ethylideneamino] acetate
SMILESCC(=O)O/N=C(\C)c1ccc(N(c2ccc(C(=O)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(/C(C)=N/OC(C)=O)cc2)cc1.CC(=O)O/N=C(\C)c1ccc(N(c2ccc(C(=O)c3cccs3)cc2)c2ccc(/C(C)=N/OC(C)=O)cc2)cc1.CC(=O)ON=C(C)c1ccc(N(c2ccc(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cc2)c2ccc(/C(C)=N/OC(C)=O)cc2)cc1.CC(=O)ON=C(C)c1ccc(Sc2ccc(C(=O)c3ccc(N(c4ccc(C(C)=NOC(C)=O)cc4)c4ccc(/C(C)=N/OC(C)=O)cc4)cc3)cc2)cc1.COc1cc(C(=O)c2ccc(N(c3ccc(/C(C)=N/OC(C)=O)cc3)c3ccc(/C(C)=N/OC(C)=O)cc3)cc2)cc(OC)c1OC(C)=O
InChIInChI=1S/C45H36N4O5.C43H38N4O7S.C39H32N4O7S.C37H35N3O9.C31H27N3O5S/c1-29(46-53-31(3)50)33-13-21-37(22-14-33)48(38-23-15-34(16-24-38)30(2)47-54-32(4)51)39-25-17-35(18-26-39)45(52)36-19-27-40(28-20-36)49-43-11-7-5-9-41(43)42-10-6-8-12-44(42)49;1-27(44-52-30(4)48)33-7-17-38(18-8-33)47(39-19-9-34(10-20-39)28(2)45-53-31(5)49)40-21-11-36(12-22-40)43(51)37-15-25-42(26-16-37)55-41-23-13-35(14-24-41)29(3)46-54-32(6)50;1-25(40-49-27(3)44)29-5-13-33(14-6-29)42(34-15-7-30(8-16-34)26(2)41-50-28(4)45)35-17-9-31(10-18-35)39(46)32-11-21-37(22-12-32)51-38-23-19-36(20-24-38)43(47)48;1-22(38-48-25(4)42)27-8-14-31(15-9-27)40(32-16-10-28(11-17-32)23(2)39-49-26(5)43)33-18-12-29(13-19-33)36(44)30-20-34(45-6)37(47-24(3)41)35(21-30)46-7;1-20(32-38-22(3)35)24-7-13-27(14-8-24)34(28-15-9-25(10-16-28)21(2)33-39-23(4)36)29-17-11-26(12-18-29)31(37)30-6-5-19-40-30/h5-28H,1-4H3;7-26H,1-6H3;5-24H,1-4H3;8-21H,1-7H3;5-19H,1-4H3/b46-29+,47-30+;44-27+,45-28?,46-29?;40-25+,41-26?;38-22+,39-23+;32-20+,33-21+
InChIKeyVWRLJWUSUIVBJF-KSVHCPPCSA-N
MW3387.78 g/mol
LogP42.41
Rot. Bonds56

About [4-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]phenyl]anilino]benzoyl]-2,6-dimethoxyphenyl] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-[4-(N-acetyloxy-C-methylcarbonimidoyl)phenyl]sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(4-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]ethylideneamino] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-(4-nitrophenyl)sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(thiophene-2-carbonyl)phenyl]anilino]phenyl]ethylideneamino] acetate

[4-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]phenyl]anilino]benzoyl]-2,6-dimethoxyphenyl] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-[4-(N-acetyloxy-C-methylcarbonimidoyl)phenyl]sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(4-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]ethylideneamino] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-(4-nitrophenyl)sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(thiophene-2-carbonyl)phenyl]anilino]phenyl]ethylideneamino] acetate (PubChem CID 172957723) has the molecular formula C195H168N18O33S3 and a molecular weight of 3387.78 g/mol. Its IUPAC name is [4-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]phenyl]anilino]benzoyl]-2,6-dimethoxyphenyl] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-[4-(N-acetyloxy-C-methylcarbonimidoyl)phenyl]sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(4-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]ethylideneamino] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-(4-nitrophenyl)sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(thiophene-2-carbonyl)phenyl]anilino]phenyl]ethylideneamino] acetate.

Molecular Properties

Compound Name[4-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]phenyl]anilino]benzoyl]-2,6-dimethoxyphenyl] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-[4-(N-acetyloxy-C-methylcarbonimidoyl)phenyl]sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(4-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]ethylideneamino] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-(4-nitrophenyl)sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(thiophene-2-carbonyl)phenyl]anilino]phenyl]ethylideneamino] acetate
PubChem CID172957723
Molecular FormulaC195H168N18O33S3
Molecular Weight3387.78 g/mol
Exact Mass3385.12
IUPAC Name[4-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]phenyl]anilino]benzoyl]-2,6-dimethoxyphenyl] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-[4-(N-acetyloxy-C-methylcarbonimidoyl)phenyl]sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(4-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]ethylideneamino] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-(4-nitrophenyl)sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(thiophene-2-carbonyl)phenyl]anilino]phenyl]ethylideneamino] acetate
SMILESCC(=O)O/N=C(\C)c1ccc(N(c2ccc(C(=O)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(/C(C)=N/OC(C)=O)cc2)cc1.CC(=O)O/N=C(\C)c1ccc(N(c2ccc(C(=O)c3cccs3)cc2)c2ccc(/C(C)=N/OC(C)=O)cc2)cc1.CC(=O)ON=C(C)c1ccc(N(c2ccc(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cc2)c2ccc(/C(C)=N/OC(C)=O)cc2)cc1.CC(=O)ON=C(C)c1ccc(Sc2ccc(C(=O)c3ccc(N(c4ccc(C(C)=NOC(C)=O)cc4)c4ccc(/C(C)=N/OC(C)=O)cc4)cc3)cc2)cc1.COc1cc(C(=O)c2ccc(N(c3ccc(/C(C)=N/OC(C)=O)cc3)c3ccc(/C(C)=N/OC(C)=O)cc3)cc2)cc(OC)c1OC(C)=O
InChIInChI=1S/C45H36N4O5.C43H38N4O7S.C39H32N4O7S.C37H35N3O9.C31H27N3O5S/c1-29(46-53-31(3)50)33-13-21-37(22-14-33)48(38-23-15-34(16-24-38)30(2)47-54-32(4)51)39-25-17-35(18-26-39)45(52)36-19-27-40(28-20-36)49-43-11-7-5-9-41(43)42-10-6-8-12-44(42)49;1-27(44-52-30(4)48)33-7-17-38(18-8-33)47(39-19-9-34(10-20-39)28(2)45-53-31(5)49)40-21-11-36(12-22-40)43(51)37-15-25-42(26-16-37)55-41-23-13-35(14-24-41)29(3)46-54-32(6)50;1-25(40-49-27(3)44)29-5-13-33(14-6-29)42(34-15-7-30(8-16-34)26(2)41-50-28(4)45)35-17-9-31(10-18-35)39(46)32-11-21-37(22-12-32)51-38-23-19-36(20-24-38)43(47)48;1-22(38-48-25(4)42)27-8-14-31(15-9-27)40(32-16-10-28(11-17-32)23(2)39-49-26(5)43)33-18-12-29(13-19-33)36(44)30-20-34(45-6)37(47-24(3)41)35(21-30)46-7;1-20(32-38-22(3)35)24-7-13-27(14-8-24)34(28-15-9-25(10-16-28)21(2)33-39-23(4)36)29-17-11-26(12-18-29)31(37)30-6-5-19-40-30/h5-28H,1-4H3;7-26H,1-6H3;5-24H,1-4H3;8-21H,1-7H3;5-19H,1-4H3/b46-29+,47-30+;44-27+,45-28?,46-29?;40-25+,41-26?;38-22+,39-23+;32-20+,33-21+
InChIKeyVWRLJWUSUIVBJF-KSVHCPPCSA-N
XLogP42.41
TPSA619.64 Ų
H-Bond Donors
H-Bond Acceptors53
Rotatable Bonds56
Heavy Atoms249
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003387.78
LogP ≤ 542.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]phenyl]anilino]benzoyl]-2,6-dimethoxyphenyl] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-[4-(N-acetyloxy-C-methylcarbonimidoyl)phenyl]sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(4-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]ethylideneamino] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-(4-nitrophenyl)sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(thiophene-2-carbonyl)phenyl]anilino]phenyl]ethylideneamino] acetate with MolForge

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Related Compounds

[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-(4-nitrophenyl)sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate
CID 58289416
[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(4-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]ethylideneamino] acetate
CID 58289415
[(E)-1-[4-[3-[(Z)-N-acetyloxy-C-[(9Z)-9-acetyloxyimino-9-[9-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]phenyl]-6-(thiophene-2-carbonyl)carbazol-3-yl]nonyl]carbonimidoyl]-6-(thiophene-2-carbonyl)carbazol-9-yl]phenyl]ethylideneamino] acetate
CID 59271180
[(E)-1-[6-(2-methylbenzoyl)-9-(4-nitrophenyl)carbazol-3-yl]ethylideneamino] acetate
CID 162463758
[(Z)-1-[4-[3-[3-[acetyl(acetyloxy)amino]propanoyl]-6-(thiophene-2-carbonyl)carbazol-9-yl]phenyl]ethylideneamino] acetate
CID 172985608
[1-[4-[3-[(E)-C-[2-[acetyl(acetyloxy)amino]propyl]-N-acetyloxycarbonimidoyl]-6-(thiophene-2-carbonyl)carbazol-9-yl]phenyl]ethylideneamino] acetate
CID 59349774
[(E)-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate
CID 89111826
[(Z)-1-[2-methyl-4-(3-nitrocarbazol-9-yl)phenyl]butylideneamino] acetate
CID 145437407
3-nitro-9-(4-nitrophenyl)carbazole
CID 23847398
[[1-oxo-1-[9-[4-(4-phenylbenzoyl)phenyl]carbazol-3-yl]propan-2-ylidene]amino] acetate
CID 167275551
[1-[4-[4-(N-acetyloxy-C-methylcarbonimidoyl)-N-[4-(4-bromobenzoyl)phenyl]anilino]phenyl]ethylideneamino] acetate
CID 76742398
[2-[(E)-N-acetyloxy-C-thiophen-2-ylcarbonimidoyl]-6-methoxyphenyl] acetate
CID 10359468

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]phenyl]anilino]benzoyl]-2,6-dimethoxyphenyl] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-[4-(N-acetyloxy-C-methylcarbonimidoyl)phenyl]sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(4-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]ethylideneamino] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-(4-nitrophenyl)sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(thiophene-2-carbonyl)phenyl]anilino]phenyl]ethylideneamino] acetate?
The IUPAC name of [4-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]phenyl]anilino]benzoyl]-2,6-dimethoxyphenyl] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-[4-(N-acetyloxy-C-methylcarbonimidoyl)phenyl]sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(4-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]ethylideneamino] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-(4-nitrophenyl)sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(thiophene-2-carbonyl)phenyl]anilino]phenyl]ethylideneamino] acetate (CID 172957723) is [4-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]phenyl]anilino]benzoyl]-2,6-dimethoxyphenyl] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-[4-(N-acetyloxy-C-methylcarbonimidoyl)phenyl]sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(4-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]ethylideneamino] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-(4-nitrophenyl)sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(thiophene-2-carbonyl)phenyl]anilino]phenyl]ethylideneamino] acetate.
What is the SMILES notation for [4-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]phenyl]anilino]benzoyl]-2,6-dimethoxyphenyl] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-[4-(N-acetyloxy-C-methylcarbonimidoyl)phenyl]sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(4-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]ethylideneamino] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-(4-nitrophenyl)sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(thiophene-2-carbonyl)phenyl]anilino]phenyl]ethylideneamino] acetate?
The canonical SMILES for [4-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]phenyl]anilino]benzoyl]-2,6-dimethoxyphenyl] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-[4-(N-acetyloxy-C-methylcarbonimidoyl)phenyl]sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(4-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]ethylideneamino] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-(4-nitrophenyl)sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(thiophene-2-carbonyl)phenyl]anilino]phenyl]ethylideneamino] acetate is CC(=O)O/N=C(\C)c1ccc(N(c2ccc(C(=O)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(/C(C)=N/OC(C)=O)cc2)cc1.CC(=O)O/N=C(\C)c1ccc(N(c2ccc(C(=O)c3cccs3)cc2)c2ccc(/C(C)=N/OC(C)=O)cc2)cc1.CC(=O)ON=C(C)c1ccc(N(c2ccc(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cc2)c2ccc(/C(C)=N/OC(C)=O)cc2)cc1.CC(=O)ON=C(C)c1ccc(Sc2ccc(C(=O)c3ccc(N(c4ccc(C(C)=NOC(C)=O)cc4)c4ccc(/C(C)=N/OC(C)=O)cc4)cc3)cc2)cc1.COc1cc(C(=O)c2ccc(N(c3ccc(/C(C)=N/OC(C)=O)cc3)c3ccc(/C(C)=N/OC(C)=O)cc3)cc2)cc(OC)c1OC(C)=O.
What is the InChIKey of [4-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]phenyl]anilino]benzoyl]-2,6-dimethoxyphenyl] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-[4-(N-acetyloxy-C-methylcarbonimidoyl)phenyl]sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(4-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]ethylideneamino] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-(4-nitrophenyl)sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(thiophene-2-carbonyl)phenyl]anilino]phenyl]ethylideneamino] acetate?
The InChIKey is VWRLJWUSUIVBJF-KSVHCPPCSA-N. The full InChI is InChI=1S/C45H36N4O5.C43H38N4O7S.C39H32N4O7S.C37H35N3O9.C31H27N3O5S/c1-29(46-53-31(3)50)33-13-21-37(22-14-33)48(38-23-15-34(16-24-38)30(2)47-54-32(4)51)39-25-17-35(18-26-39)45(52)36-19-27-40(28-20-36)49-43-11-7-5-9-41(43)42-10-6-8-12-44(42)49;1-27(44-52-30(4)48)33-7-17-38(18-8-33)47(39-19-9-34(10-20-39)28(2)45-53-31(5)49)40-21-11-36(12-22-40)43(51)37-15-25-42(26-16-37)55-41-23-13-35(14-24-41)29(3)46-54-32(6)50;1-25(40-49-27(3)44)29-5-13-33(14-6-29)42(34-15-7-30(8-16-34)26(2)41-50-28(4)45)35-17-9-31(10-18-35)39(46)32-11-21-37(22-12-32)51-38-23-19-36(20-24-38)43(47)48;1-22(38-48-25(4)42)27-8-14-31(15-9-27)40(32-16-10-28(11-17-32)23(2)39-49-26(5)43)33-18-12-29(13-19-33)36(44)30-20-34(45-6)37(47-24(3)41)35(21-30)46-7;1-20(32-38-22(3)35)24-7-13-27(14-8-24)34(28-15-9-25(10-16-28)21(2)33-39-23(4)36)29-17-11-26(12-18-29)31(37)30-6-5-19-40-30/h5-28H,1-4H3;7-26H,1-6H3;5-24H,1-4H3;8-21H,1-7H3;5-19H,1-4H3/b46-29+,47-30+;44-27+,45-28?,46-29?;40-25+,41-26?;38-22+,39-23+;32-20+,33-21+.
What are the key properties of [4-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]phenyl]anilino]benzoyl]-2,6-dimethoxyphenyl] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-[4-(N-acetyloxy-C-methylcarbonimidoyl)phenyl]sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(4-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]ethylideneamino] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-(4-nitrophenyl)sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(thiophene-2-carbonyl)phenyl]anilino]phenyl]ethylideneamino] acetate?
[4-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]phenyl]anilino]benzoyl]-2,6-dimethoxyphenyl] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-[4-(N-acetyloxy-C-methylcarbonimidoyl)phenyl]sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(4-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]ethylideneamino] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-(4-nitrophenyl)sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(thiophene-2-carbonyl)phenyl]anilino]phenyl]ethylideneamino] acetate has a molecular weight of 3387.78 g/mol, XLogP of 42.41, 56 rotatable bonds, 0 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]phenyl]anilino]benzoyl]-2,6-dimethoxyphenyl] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-[4-(N-acetyloxy-C-methylcarbonimidoyl)phenyl]sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(4-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]ethylideneamino] acetate;[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-[4-(4-nitrophenyl)sulfanylbenzoyl]phenyl]anilino]phenyl]ethylideneamino] acetate;[(E)-1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(thiophene-2-carbonyl)phenyl]anilino]phenyl]ethylideneamino] acetate is sourced from PubChem (CID 172957723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).