[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[5,6-di(prop-2-enoyloxy)hexoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[3-prop-2-enoyloxy-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoate;methane

C141H145N9O38S3 — CID 172987399

IUPAC[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[5,6-di(prop-2-enoyloxy)hexoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[3-prop-2-enoyloxy-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoate;methane
SMILESC.C.C.C.C.C.C=CC(=O)OCCC(=O)OC(COC(=O)C=C)COc1ccc(C(=O)Oc2ccc(CCOC(=O)c3ccc(OCOC(=O)C=C)cc3)cc2/C=N/Nc2nc3ccccc3s2)cc1.C=CC(=O)OCOc1ccc(C(=O)OCCc2ccc(OC(=O)c3ccc(OCC(COC(=O)C=C)OC(=O)C=C)cc3)c(/C=N/Nc3nc4ccccc4s3)c2)cc1.C=CC(=O)OCOc1ccc(C(=O)OCCc2ccc(OC(=O)c3ccc(OCCCCC(COC(=O)C=C)OC(=O)C=C)cc3)c(/C=N/Nc3nc4ccccc4s3)c2)cc1
InChIInChI=1S/C46H41N3O14S.C46H43N3O12S.C43H37N3O12S.6CH4/c1-4-40(50)56-24-22-43(53)62-36(28-59-41(51)5-2)27-58-34-16-14-32(15-17-34)45(55)63-38-20-11-30(25-33(38)26-47-49-46-48-37-9-7-8-10-39(37)64-46)21-23-57-44(54)31-12-18-35(19-13-31)60-29-61-42(52)6-3;1-4-41(50)57-29-37(60-43(52)6-3)11-9-10-25-55-35-19-17-33(18-20-35)45(54)61-39-23-14-31(27-34(39)28-47-49-46-48-38-12-7-8-13-40(38)62-46)24-26-56-44(53)32-15-21-36(22-16-32)58-30-59-42(51)5-2;1-4-38(47)54-26-34(57-40(49)6-3)25-53-32-16-14-30(15-17-32)42(51)58-36-20-11-28(23-31(36)24-44-46-43-45-35-9-7-8-10-37(35)59-43)21-22-52-41(50)29-12-18-33(19-13-29)55-27-56-39(48)5-2;;;;;;/h4-20,25-26,36H,1-3,21-24,27-29H2,(H,48,49);4-8,12-23,27-28,37H,1-3,9-11,24-26,29-30H2,(H,48,49);4-20,23-24,34H,1-3,21-22,25-27H2,(H,45,46);6*1H4/b47-26+;47-28+;44-24+;;;;;;
InChIKeyOQQVVSQZVGKAQF-KAXAPJJXSA-N
MW2669.94 g/mol
LogP24.82
Rot. Bonds69

About [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[5,6-di(prop-2-enoyloxy)hexoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[3-prop-2-enoyloxy-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoate;methane

[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[5,6-di(prop-2-enoyloxy)hexoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[3-prop-2-enoyloxy-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoate;methane (PubChem CID 172987399) has the molecular formula C141H145N9O38S3 and a molecular weight of 2669.94 g/mol. Its IUPAC name is [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[5,6-di(prop-2-enoyloxy)hexoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[3-prop-2-enoyloxy-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoate;methane.

Molecular Properties

Compound Name[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[5,6-di(prop-2-enoyloxy)hexoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[3-prop-2-enoyloxy-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoate;methane
PubChem CID172987399
Molecular FormulaC141H145N9O38S3
Molecular Weight2669.94 g/mol
Exact Mass2667.89
IUPAC Name[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[5,6-di(prop-2-enoyloxy)hexoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[3-prop-2-enoyloxy-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoate;methane
SMILESC.C.C.C.C.C.C=CC(=O)OCCC(=O)OC(COC(=O)C=C)COc1ccc(C(=O)Oc2ccc(CCOC(=O)c3ccc(OCOC(=O)C=C)cc3)cc2/C=N/Nc2nc3ccccc3s2)cc1.C=CC(=O)OCOc1ccc(C(=O)OCCc2ccc(OC(=O)c3ccc(OCC(COC(=O)C=C)OC(=O)C=C)cc3)c(/C=N/Nc3nc4ccccc4s3)c2)cc1.C=CC(=O)OCOc1ccc(C(=O)OCCc2ccc(OC(=O)c3ccc(OCCCCC(COC(=O)C=C)OC(=O)C=C)cc3)c(/C=N/Nc3nc4ccccc4s3)c2)cc1
InChIInChI=1S/C46H41N3O14S.C46H43N3O12S.C43H37N3O12S.6CH4/c1-4-40(50)56-24-22-43(53)62-36(28-59-41(51)5-2)27-58-34-16-14-32(15-17-34)45(55)63-38-20-11-30(25-33(38)26-47-49-46-48-37-9-7-8-10-39(37)64-46)21-23-57-44(54)31-12-18-35(19-13-31)60-29-61-42(52)6-3;1-4-41(50)57-29-37(60-43(52)6-3)11-9-10-25-55-35-19-17-33(18-20-35)45(54)61-39-23-14-31(27-34(39)28-47-49-46-48-38-12-7-8-13-40(38)62-46)24-26-56-44(53)32-15-21-36(22-16-32)58-30-59-42(51)5-2;1-4-38(47)54-26-34(57-40(49)6-3)25-53-32-16-14-30(15-17-32)42(51)58-36-20-11-28(23-31(36)24-44-46-43-45-35-9-7-8-10-37(35)59-43)21-22-52-41(50)29-12-18-33(19-13-29)55-27-56-39(48)5-2;;;;;;/h4-20,25-26,36H,1-3,21-24,27-29H2,(H,48,49);4-8,12-23,27-28,37H,1-3,9-11,24-26,29-30H2,(H,48,49);4-20,23-24,34H,1-3,21-22,25-27H2,(H,45,46);6*1H4/b47-26+;47-28+;44-24+;;;;;;
InChIKeyOQQVVSQZVGKAQF-KAXAPJJXSA-N
XLogP24.82
TPSA588.02 Ų
H-Bond Donors3
H-Bond Acceptors50
Rotatable Bonds69
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002669.94
LogP ≤ 524.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[5,6-di(prop-2-enoyloxy)hexoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[3-prop-2-enoyloxy-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoate;methane with MolForge

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Related Compounds

2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoyl]oxyphenyl]ethyl 4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoate
CID 122417029
[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[2,3-di(prop-2-enoyloxy)propoxy]benzoyl]oxyphenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate;2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoyl]oxyphenyl]ethyl 4-[2-(5-prop-2-enoyloxypentoxy)-2-(3-prop-2-enoyloxypropanoyloxy)ethoxy]benzoate;2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxyphenyl]ethyl 4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoate
CID 172971851
[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxybenzoyl]oxyethyl]phenyl] 4-[2-prop-2-enoyloxy-2-(5-prop-2-enoyloxypentoxy)ethoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-[2-(5-prop-2-enoyloxypentoxy)-2-(3-prop-2-enoyloxypropanoyloxy)ethoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-[2-prop-2-enoyloxy-2-(5-prop-2-enoyloxypentoxy)ethoxy]benzoate
CID 172940961
[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[5,6-di(prop-2-enoyloxy)hexoxy]benzoyl]oxyphenyl] 4-[5-(2-methylprop-2-enoyloxy)-6-prop-2-enoyloxyhexoxy]benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[2,3-di(prop-2-enoyloxy)propoxy]benzoyl]oxyphenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[3-prop-2-enoyloxy-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoyl]oxyphenyl] 4-[3-prop-2-enoyloxy-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoate
CID 172973428
2-[4-(4-acetyloxybenzoyl)oxy-3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl]ethyl 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate
CID 134312755
2-[3-[(E)-(benzo[e][1,3]benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[2,3-di(prop-2-enoyloxy)propoxy]benzoyl]oxyphenyl]ethyl 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate
CID 139356252
[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylphenyl)phenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate
CID 122418999
2-[3-[2-[2-(1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-4-[4-[5,6-di(prop-2-enoyloxy)hexoxy]benzoyl]oxyphenyl]ethyl 4-[5,6-di(prop-2-enoyloxy)hexoxy]benzoate
CID 145121774
[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate
CID 172917732
[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoate;1-O-[2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl]ethyl] 4-O-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[(E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoyl]oxyphenyl] (E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoate
CID 172953220
[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoate
CID 122417091
[2-[(E)-[benzo[e][1,3]benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoate;1-O-[2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl]ethyl] 4-O-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl] cyclohexane-1,4-dicarboxylate
CID 172971223

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[5,6-di(prop-2-enoyloxy)hexoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[3-prop-2-enoyloxy-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoate;methane?
The IUPAC name of [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[5,6-di(prop-2-enoyloxy)hexoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[3-prop-2-enoyloxy-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoate;methane (CID 172987399) is [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[5,6-di(prop-2-enoyloxy)hexoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[3-prop-2-enoyloxy-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoate;methane.
What is the SMILES notation for [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[5,6-di(prop-2-enoyloxy)hexoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[3-prop-2-enoyloxy-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoate;methane?
The canonical SMILES for [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[5,6-di(prop-2-enoyloxy)hexoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[3-prop-2-enoyloxy-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoate;methane is C.C.C.C.C.C.C=CC(=O)OCCC(=O)OC(COC(=O)C=C)COc1ccc(C(=O)Oc2ccc(CCOC(=O)c3ccc(OCOC(=O)C=C)cc3)cc2/C=N/Nc2nc3ccccc3s2)cc1.C=CC(=O)OCOc1ccc(C(=O)OCCc2ccc(OC(=O)c3ccc(OCC(COC(=O)C=C)OC(=O)C=C)cc3)c(/C=N/Nc3nc4ccccc4s3)c2)cc1.C=CC(=O)OCOc1ccc(C(=O)OCCc2ccc(OC(=O)c3ccc(OCCCCC(COC(=O)C=C)OC(=O)C=C)cc3)c(/C=N/Nc3nc4ccccc4s3)c2)cc1.
What is the InChIKey of [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[5,6-di(prop-2-enoyloxy)hexoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[3-prop-2-enoyloxy-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoate;methane?
The InChIKey is OQQVVSQZVGKAQF-KAXAPJJXSA-N. The full InChI is InChI=1S/C46H41N3O14S.C46H43N3O12S.C43H37N3O12S.6CH4/c1-4-40(50)56-24-22-43(53)62-36(28-59-41(51)5-2)27-58-34-16-14-32(15-17-34)45(55)63-38-20-11-30(25-33(38)26-47-49-46-48-37-9-7-8-10-39(37)64-46)21-23-57-44(54)31-12-18-35(19-13-31)60-29-61-42(52)6-3;1-4-41(50)57-29-37(60-43(52)6-3)11-9-10-25-55-35-19-17-33(18-20-35)45(54)61-39-23-14-31(27-34(39)28-47-49-46-48-38-12-7-8-13-40(38)62-46)24-26-56-44(53)32-15-21-36(22-16-32)58-30-59-42(51)5-2;1-4-38(47)54-26-34(57-40(49)6-3)25-53-32-16-14-30(15-17-32)42(51)58-36-20-11-28(23-31(36)24-44-46-43-45-35-9-7-8-10-37(35)59-43)21-22-52-41(50)29-12-18-33(19-13-29)55-27-56-39(48)5-2;;;;;;/h4-20,25-26,36H,1-3,21-24,27-29H2,(H,48,49);4-8,12-23,27-28,37H,1-3,9-11,24-26,29-30H2,(H,48,49);4-20,23-24,34H,1-3,21-22,25-27H2,(H,45,46);6*1H4/b47-26+;47-28+;44-24+;;;;;;.
What are the key properties of [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[5,6-di(prop-2-enoyloxy)hexoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[3-prop-2-enoyloxy-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoate;methane?
[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[5,6-di(prop-2-enoyloxy)hexoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[3-prop-2-enoyloxy-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoate;methane has a molecular weight of 2669.94 g/mol, XLogP of 24.82, 69 rotatable bonds, 3 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[5,6-di(prop-2-enoyloxy)hexoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[3-prop-2-enoyloxy-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoate;methane is sourced from PubChem (CID 172987399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).