[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

C151H139N9O46S3 — CID 172973428

IUPAC[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
SMILESC=CC(=O)OCC(CCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCC(COC(=O)C=C)OC(=O)C(=C)C)cc3)cc2/C=N/Nc2nc3ccccc3s2)cc1)OC(=O)C=C.C=CC(=O)OCC(COc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC(COC(=O)C=C)OC(=O)C=C)cc3)c(/C=N/Nc3nc4ccccc4s3)c2)cc1)OC(=O)C=C.C=CC(=O)OCCC(=O)OC(COC(=O)C=C)COc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC(COC(=O)C=C)OC(=O)CCOC(=O)C=C)cc3)c(/C=N/Nc3nc4ccccc4s3)c2)cc1
InChIInChI=1S/C53H53N3O14S.C52H47N3O18S.C46H39N3O14S/c1-6-47(57)65-33-42(67-49(59)8-3)15-11-13-29-63-40-25-21-37(22-26-40)52(62)70-45-28-27-41(31-38(45)32-54-56-53-55-44-17-9-10-18-46(44)71-53)68-51(61)36-19-23-39(24-20-36)64-30-14-12-16-43(34-66-48(58)7-2)69-50(60)35(4)5;1-5-44(56)64-25-23-48(60)70-39(31-68-46(58)7-3)29-66-36-17-13-33(14-18-36)50(62)72-38-21-22-42(35(27-38)28-53-55-52-54-41-11-9-10-12-43(41)74-52)73-51(63)34-15-19-37(20-16-34)67-30-40(32-69-47(59)8-4)71-49(61)24-26-65-45(57)6-2;1-5-40(50)58-27-35(60-42(52)7-3)25-56-32-17-13-29(14-18-32)44(54)62-34-21-22-38(31(23-34)24-47-49-46-48-37-11-9-10-12-39(37)64-46)63-45(55)30-15-19-33(20-16-30)57-26-36(61-43(53)8-4)28-59-41(51)6-2/h6-10,17-28,31-32,42-43H,1-4,11-16,29-30,33-34H2,5H3,(H,55,56);5-22,27-28,39-40H,1-4,23-26,29-32H2,(H,54,55);5-24,35-36H,1-4,25-28H2,(H,48,49)/b54-32+;53-28+;47-24+
InChIKeyBVBZZEJCPZCVKH-BVNDCCPRSA-N
MW2911.99 g/mol
LogP22.37
Rot. Bonds81

About [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

[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 (PubChem CID 172973428) has the molecular formula C151H139N9O46S3 and a molecular weight of 2911.99 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID172973428
Molecular FormulaC151H139N9O46S3
Molecular Weight2911.99 g/mol
Exact Mass2909.80
IUPAC Name[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
SMILESC=CC(=O)OCC(CCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCC(COC(=O)C=C)OC(=O)C(=C)C)cc3)cc2/C=N/Nc2nc3ccccc3s2)cc1)OC(=O)C=C.C=CC(=O)OCC(COc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC(COC(=O)C=C)OC(=O)C=C)cc3)c(/C=N/Nc3nc4ccccc4s3)c2)cc1)OC(=O)C=C.C=CC(=O)OCCC(=O)OC(COC(=O)C=C)COc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC(COC(=O)C=C)OC(=O)CCOC(=O)C=C)cc3)c(/C=N/Nc3nc4ccccc4s3)c2)cc1
InChIInChI=1S/C53H53N3O14S.C52H47N3O18S.C46H39N3O14S/c1-6-47(57)65-33-42(67-49(59)8-3)15-11-13-29-63-40-25-21-37(22-26-40)52(62)70-45-28-27-41(31-38(45)32-54-56-53-55-44-17-9-10-18-46(44)71-53)68-51(61)36-19-23-39(24-20-36)64-30-14-12-16-43(34-66-48(58)7-2)69-50(60)35(4)5;1-5-44(56)64-25-23-48(60)70-39(31-68-46(58)7-3)29-66-36-17-13-33(14-18-36)50(62)72-38-21-22-42(35(27-38)28-53-55-52-54-41-11-9-10-12-43(41)74-52)73-51(63)34-15-19-37(20-16-34)67-30-40(32-69-47(59)8-4)71-49(61)24-26-65-45(57)6-2;1-5-40(50)58-27-35(60-42(52)7-3)25-56-32-17-13-29(14-18-32)44(54)62-34-21-22-38(31(23-34)24-47-49-46-48-37-11-9-10-12-39(37)64-46)63-45(55)30-15-19-33(20-16-30)57-26-36(61-43(53)8-4)28-59-41(51)6-2/h6-10,17-28,31-32,42-43H,1-4,11-16,29-30,33-34H2,5H3,(H,55,56);5-22,27-28,39-40H,1-4,23-26,29-32H2,(H,54,55);5-24,35-36H,1-4,25-28H2,(H,48,49)/b54-32+;53-28+;47-24+
InChIKeyBVBZZEJCPZCVKH-BVNDCCPRSA-N
XLogP22.37
TPSA693.22 Ų
H-Bond Donors3
H-Bond Acceptors58
Rotatable Bonds81
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002911.99
LogP ≤ 522.37
H-Bond Donors ≤ 53
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-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 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

[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
[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-[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
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-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylphenyl)phenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate
CID 122418999
[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-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate
CID 172917732
[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
[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
[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)-(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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is C=CC(=O)OCC(CCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCC(COC(=O)C=C)OC(=O)C(=C)C)cc3)cc2/C=N/Nc2nc3ccccc3s2)cc1)OC(=O)C=C.C=CC(=O)OCC(COc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC(COC(=O)C=C)OC(=O)C=C)cc3)c(/C=N/Nc3nc4ccccc4s3)c2)cc1)OC(=O)C=C.C=CC(=O)OCCC(=O)OC(COC(=O)C=C)COc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC(COC(=O)C=C)OC(=O)CCOC(=O)C=C)cc3)c(/C=N/Nc3nc4ccccc4s3)c2)cc1.
What is the InChIKey of [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?
The InChIKey is BVBZZEJCPZCVKH-BVNDCCPRSA-N. The full InChI is InChI=1S/C53H53N3O14S.C52H47N3O18S.C46H39N3O14S/c1-6-47(57)65-33-42(67-49(59)8-3)15-11-13-29-63-40-25-21-37(22-26-40)52(62)70-45-28-27-41(31-38(45)32-54-56-53-55-44-17-9-10-18-46(44)71-53)68-51(61)36-19-23-39(24-20-36)64-30-14-12-16-43(34-66-48(58)7-2)69-50(60)35(4)5;1-5-44(56)64-25-23-48(60)70-39(31-68-46(58)7-3)29-66-36-17-13-33(14-18-36)50(62)72-38-21-22-42(35(27-38)28-53-55-52-54-41-11-9-10-12-43(41)74-52)73-51(63)34-15-19-37(20-16-34)67-30-40(32-69-47(59)8-4)71-49(61)24-26-65-45(57)6-2;1-5-40(50)58-27-35(60-42(52)7-3)25-56-32-17-13-29(14-18-32)44(54)62-34-21-22-38(31(23-34)24-47-49-46-48-37-11-9-10-12-39(37)64-46)63-45(55)30-15-19-33(20-16-30)57-26-36(61-43(53)8-4)28-59-41(51)6-2/h6-10,17-28,31-32,42-43H,1-4,11-16,29-30,33-34H2,5H3,(H,55,56);5-22,27-28,39-40H,1-4,23-26,29-32H2,(H,54,55);5-24,35-36H,1-4,25-28H2,(H,48,49)/b54-32+;53-28+;47-24+.
What are the key properties of [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?
[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 has a molecular weight of 2911.99 g/mol, XLogP of 22.37, 81 rotatable bonds, 3 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 172973428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).