[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-3-[(E)-([1,3]thiazolo[4,5-b]pyrazin-2-ylhydrazinylidene)methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate

C201H206N14O40S4 — CID 172924055

IUPAC[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-3-[(E)-([1,3]thiazolo[4,5-b]pyrazin-2-ylhydrazinylidene)methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
SMILESC=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2cc(/C=N/N(C)c3nc4ccccc4s3)c(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c3ccccc23)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2cc(/C=N/N(CCCCCC)c3nc4ccccc4s3)c(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c3ccccc23)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2cc(/C=N/Nc3nc4ccccc4s3)c(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c3ccccc23)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(/C=N/Nc3nc4nccnc4s3)c2)cc1
InChIInChI=1S/C56H61N3O10S.C51H51N3O10S.C50H49N3O10S.C44H45N5O10S/c1-4-7-8-17-34-59(56-58-48-24-15-16-25-50(48)70-56)57-40-43-39-49(68-54(62)41-26-30-44(31-27-41)64-35-18-9-11-20-37-66-51(60)5-2)46-22-13-14-23-47(46)53(43)69-55(63)42-28-32-45(33-29-42)65-36-19-10-12-21-38-67-52(61)6-3;1-4-46(55)61-32-16-8-6-14-30-59-39-26-22-36(23-27-39)49(57)63-44-34-38(35-52-54(3)51-53-43-20-12-13-21-45(43)65-51)48(42-19-11-10-18-41(42)44)64-50(58)37-24-28-40(29-25-37)60-31-15-7-9-17-33-62-47(56)5-2;1-3-45(54)60-31-15-7-5-13-29-58-38-25-21-35(22-26-38)48(56)62-43-33-37(34-51-53-50-52-42-19-11-12-20-44(42)64-50)47(41-18-10-9-17-40(41)43)63-49(57)36-23-27-39(28-24-36)59-30-14-6-8-16-32-61-46(55)4-2;1-3-38(50)56-27-11-7-5-9-25-54-34-17-13-31(14-18-34)42(52)58-36-21-22-37(33(29-36)30-47-49-44-48-40-41(60-44)46-24-23-45-40)59-43(53)32-15-19-35(20-16-32)55-26-10-6-8-12-28-57-39(51)4-2/h5-6,13-16,22-33,39-40H,2-4,7-12,17-21,34-38H2,1H3;4-5,10-13,18-29,34-35H,1-2,6-9,14-17,30-33H2,3H3;3-4,9-12,17-28,33-34H,1-2,5-8,13-16,29-32H2,(H,52,53);3-4,13-24,29-30H,1-2,5-12,25-28H2,(H,45,48,49)/b57-40+;52-35+;51-34+;47-30+
InChIKeyXQEMQZQEKSDEHQ-CJQSDJFRSA-N
MW3586.18 g/mol
LogP42.32
Rot. Bonds105

About [3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-3-[(E)-([1,3]thiazolo[4,5-b]pyrazin-2-ylhydrazinylidene)methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate

[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-3-[(E)-([1,3]thiazolo[4,5-b]pyrazin-2-ylhydrazinylidene)methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate (PubChem CID 172924055) has the molecular formula C201H206N14O40S4 and a molecular weight of 3586.18 g/mol. Its IUPAC name is [3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-3-[(E)-([1,3]thiazolo[4,5-b]pyrazin-2-ylhydrazinylidene)methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate.

Molecular Properties

Compound Name[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-3-[(E)-([1,3]thiazolo[4,5-b]pyrazin-2-ylhydrazinylidene)methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
PubChem CID172924055
Molecular FormulaC201H206N14O40S4
Molecular Weight3586.18 g/mol
Exact Mass3583.34
IUPAC Name[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-3-[(E)-([1,3]thiazolo[4,5-b]pyrazin-2-ylhydrazinylidene)methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
SMILESC=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2cc(/C=N/N(C)c3nc4ccccc4s3)c(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c3ccccc23)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2cc(/C=N/N(CCCCCC)c3nc4ccccc4s3)c(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c3ccccc23)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2cc(/C=N/Nc3nc4ccccc4s3)c(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c3ccccc23)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(/C=N/Nc3nc4nccnc4s3)c2)cc1
InChIInChI=1S/C56H61N3O10S.C51H51N3O10S.C50H49N3O10S.C44H45N5O10S/c1-4-7-8-17-34-59(56-58-48-24-15-16-25-50(48)70-56)57-40-43-39-49(68-54(62)41-26-30-44(31-27-41)64-35-18-9-11-20-37-66-51(60)5-2)46-22-13-14-23-47(46)53(43)69-55(63)42-28-32-45(33-29-42)65-36-19-10-12-21-38-67-52(61)6-3;1-4-46(55)61-32-16-8-6-14-30-59-39-26-22-36(23-27-39)49(57)63-44-34-38(35-52-54(3)51-53-43-20-12-13-21-45(43)65-51)48(42-19-11-10-18-41(42)44)64-50(58)37-24-28-40(29-25-37)60-31-15-7-9-17-33-62-47(56)5-2;1-3-45(54)60-31-15-7-5-13-29-58-38-25-21-35(22-26-38)48(56)62-43-33-37(34-51-53-50-52-42-19-11-12-20-44(42)64-50)47(41-18-10-9-17-40(41)43)63-49(57)36-23-27-39(28-24-36)59-30-14-6-8-16-32-61-46(55)4-2;1-3-38(50)56-27-11-7-5-9-25-54-34-17-13-31(14-18-34)42(52)58-36-21-22-37(33(29-36)30-47-49-44-48-40-41(60-44)46-24-23-45-40)59-43(53)32-15-19-35(20-16-32)55-26-10-6-8-12-28-57-39(51)4-2/h5-6,13-16,22-33,39-40H,2-4,7-12,17-21,34-38H2,1H3;4-5,10-13,18-29,34-35H,1-2,6-9,14-17,30-33H2,3H3;3-4,9-12,17-28,33-34H,1-2,5-8,13-16,29-32H2,(H,52,53);3-4,13-24,29-30H,1-2,5-12,25-28H2,(H,45,48,49)/b57-40+;52-35+;51-34+;47-30+
InChIKeyXQEMQZQEKSDEHQ-CJQSDJFRSA-N
XLogP42.32
TPSA651.96 Ų
H-Bond Donors2
H-Bond Acceptors58
Rotatable Bonds105
Heavy Atoms259
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003586.18
LogP ≤ 542.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-3-[(E)-([1,3]thiazolo[4,5-b]pyrazin-2-ylhydrazinylidene)methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(E)-[1,3-benzothiazol-2-yl(dodecyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 90161140
[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylphenyl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylphenyl)phenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;[2-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-(4-propylphenyl)phenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate
CID 172972126
[2-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 165160122
4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-[1,3-benzothiazol-2-yl(octa-1,3,5,7-tetraynyl)hydrazinylidene]methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;molecular hydrogen
CID 172962781
[3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-(4-propylcyclohexyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-[1,3-benzothiazol-2-yl(4,4,4-trifluorobutyl)hydrazinylidene]methyl]-4-(4-butoxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;pentyl 4-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[3-(2-methylprop-2-enoyloxy)propoxy]benzoyl]oxyphenyl]benzoate
CID 172960392
[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-butoxycyclohexa-1,3-diene-1-carbonyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 140915674
[2,5-bis[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(8-oxodec-9-enoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[2,5-bis[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate
CID 172962687
[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-7-(2-methylprop-2-enoyloxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-3-(2-methylprop-2-enoyloxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-7-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 172981526
4-O-[2-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl] 1-O-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl] cyclohexane-1,4-dicarboxylate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 1-O-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-(4-propylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 172938730
4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(12-prop-2-enoyloxydodecoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(12-prop-2-enoyloxydodecoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 118187889
2-[3-[(E)-[1,3-benzothiazol-2-yl(heptyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl]ethyl 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-[[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(2-prop-2-enoyloxyethyl)hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate
CID 172950196
[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[3,4-bis(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 3,4-bis(3-prop-2-enoyloxypropoxy)benzoate
CID 134312788

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-3-[(E)-([1,3]thiazolo[4,5-b]pyrazin-2-ylhydrazinylidene)methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate?
The IUPAC name of [3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-3-[(E)-([1,3]thiazolo[4,5-b]pyrazin-2-ylhydrazinylidene)methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate (CID 172924055) is [3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-3-[(E)-([1,3]thiazolo[4,5-b]pyrazin-2-ylhydrazinylidene)methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate.
What is the SMILES notation for [3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-3-[(E)-([1,3]thiazolo[4,5-b]pyrazin-2-ylhydrazinylidene)methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate?
The canonical SMILES for [3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-3-[(E)-([1,3]thiazolo[4,5-b]pyrazin-2-ylhydrazinylidene)methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate is C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2cc(/C=N/N(C)c3nc4ccccc4s3)c(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c3ccccc23)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2cc(/C=N/N(CCCCCC)c3nc4ccccc4s3)c(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c3ccccc23)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2cc(/C=N/Nc3nc4ccccc4s3)c(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c3ccccc23)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(/C=N/Nc3nc4nccnc4s3)c2)cc1.
What is the InChIKey of [3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-3-[(E)-([1,3]thiazolo[4,5-b]pyrazin-2-ylhydrazinylidene)methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate?
The InChIKey is XQEMQZQEKSDEHQ-CJQSDJFRSA-N. The full InChI is InChI=1S/C56H61N3O10S.C51H51N3O10S.C50H49N3O10S.C44H45N5O10S/c1-4-7-8-17-34-59(56-58-48-24-15-16-25-50(48)70-56)57-40-43-39-49(68-54(62)41-26-30-44(31-27-41)64-35-18-9-11-20-37-66-51(60)5-2)46-22-13-14-23-47(46)53(43)69-55(63)42-28-32-45(33-29-42)65-36-19-10-12-21-38-67-52(61)6-3;1-4-46(55)61-32-16-8-6-14-30-59-39-26-22-36(23-27-39)49(57)63-44-34-38(35-52-54(3)51-53-43-20-12-13-21-45(43)65-51)48(42-19-11-10-18-41(42)44)64-50(58)37-24-28-40(29-25-37)60-31-15-7-9-17-33-62-47(56)5-2;1-3-45(54)60-31-15-7-5-13-29-58-38-25-21-35(22-26-38)48(56)62-43-33-37(34-51-53-50-52-42-19-11-12-20-44(42)64-50)47(41-18-10-9-17-40(41)43)63-49(57)36-23-27-39(28-24-36)59-30-14-6-8-16-32-61-46(55)4-2;1-3-38(50)56-27-11-7-5-9-25-54-34-17-13-31(14-18-34)42(52)58-36-21-22-37(33(29-36)30-47-49-44-48-40-41(60-44)46-24-23-45-40)59-43(53)32-15-19-35(20-16-32)55-26-10-6-8-12-28-57-39(51)4-2/h5-6,13-16,22-33,39-40H,2-4,7-12,17-21,34-38H2,1H3;4-5,10-13,18-29,34-35H,1-2,6-9,14-17,30-33H2,3H3;3-4,9-12,17-28,33-34H,1-2,5-8,13-16,29-32H2,(H,52,53);3-4,13-24,29-30H,1-2,5-12,25-28H2,(H,45,48,49)/b57-40+;52-35+;51-34+;47-30+.
What are the key properties of [3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-3-[(E)-([1,3]thiazolo[4,5-b]pyrazin-2-ylhydrazinylidene)methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate?
[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-3-[(E)-([1,3]thiazolo[4,5-b]pyrazin-2-ylhydrazinylidene)methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate has a molecular weight of 3586.18 g/mol, XLogP of 42.32, 105 rotatable bonds, 2 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-3-[(E)-([1,3]thiazolo[4,5-b]pyrazin-2-ylhydrazinylidene)methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate is sourced from PubChem (CID 172924055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).