[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxybenzoyl]oxyethyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;2-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl]ethyl 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3-(oxiran-2-ylmethoxymethoxy)-4-(oxiran-2-yloxymethoxy)benzoate

C178H158N12O53S4 — CID 172923104

IUPAC[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxybenzoyl]oxyethyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;2-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl]ethyl 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3-(oxiran-2-ylmethoxymethoxy)-4-(oxiran-2-yloxymethoxy)benzoate
SMILESC=CC(=O)OCOc1ccc(-c2ccc(OC(=O)c3ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c3)c(/C=N/Nc3nc4ccccc4s3)c2)cc1.C=CC(=O)OCOc1ccc(C(=O)OCCc2ccc(CCOC(=O)c3ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c3)c(/C=N/N(CCO)c3nc4ccccc4s3)c2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C(=O)OCCc3ccc(OC(=O)c4ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c4)c(/C=N/Nc4nc5ccccc5s4)c3)cc2)cc1.CCCN(/N=C/c1cc(CCOC(=O)c2ccc(OCOCC3CO3)cc2)ccc1OC(=O)c1ccc(OCOC2CO2)c(OCOCC2CO2)c1)c1nc2ccccc2s1
InChIInChI=1S/C49H39N3O15S.C46H43N3O14S.C44H45N3O13S.C39H31N3O11S/c1-4-43(53)63-28-60-36-17-12-33(13-18-36)47(57)66-37-19-14-32(15-20-37)46(56)59-24-23-31-11-21-39(35(25-31)27-50-52-49-51-38-9-7-8-10-42(38)68-49)67-48(58)34-16-22-40(61-29-64-44(54)5-2)41(26-34)62-30-65-45(55)6-3;1-4-41(51)61-28-58-36-16-13-33(14-17-36)44(54)56-23-19-31-11-12-32(35(25-31)27-47-49(21-22-50)46-48-37-9-7-8-10-40(37)64-46)20-24-57-45(55)34-15-18-38(59-29-62-42(52)5-2)39(26-34)60-30-63-43(53)6-3;1-2-16-47(44-46-36-5-3-4-6-40(36)61-44)45-20-32-18-29(15-17-52-42(48)30-8-11-33(12-9-30)56-26-50-21-34-23-53-34)7-13-37(32)60-43(49)31-10-14-38(58-28-59-41-25-55-41)39(19-31)57-27-51-22-35-24-54-35;1-4-35(43)50-22-47-29-15-11-25(12-16-29)26-13-17-31(28(19-26)21-40-42-39-41-30-9-7-8-10-34(30)54-39)53-38(46)27-14-18-32(48-23-51-36(44)5-2)33(20-27)49-24-52-37(45)6-3/h4-22,25-27H,1-3,23-24,28-30H2,(H,51,52);4-18,25-27,50H,1-3,19-24,28-30H2;3-14,18-20,34-35,41H,2,15-17,21-28H2,1H3;4-21H,1-3,22-24H2,(H,41,42)/b50-27+;47-27+;45-20+;40-21+
InChIKeyVQCJODFGPIZBDK-FYVOSPNMSA-N
MW3441.52 g/mol
LogP27.10
Rot. Bonds91

About [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxybenzoyl]oxyethyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;2-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl]ethyl 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3-(oxiran-2-ylmethoxymethoxy)-4-(oxiran-2-yloxymethoxy)benzoate

[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxybenzoyl]oxyethyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;2-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl]ethyl 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3-(oxiran-2-ylmethoxymethoxy)-4-(oxiran-2-yloxymethoxy)benzoate (PubChem CID 172923104) has the molecular formula C178H158N12O53S4 and a molecular weight of 3441.52 g/mol. Its IUPAC name is [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxybenzoyl]oxyethyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;2-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl]ethyl 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3-(oxiran-2-ylmethoxymethoxy)-4-(oxiran-2-yloxymethoxy)benzoate.

Molecular Properties

Compound Name[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxybenzoyl]oxyethyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;2-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl]ethyl 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3-(oxiran-2-ylmethoxymethoxy)-4-(oxiran-2-yloxymethoxy)benzoate
PubChem CID172923104
Molecular FormulaC178H158N12O53S4
Molecular Weight3441.52 g/mol
Exact Mass3438.89
IUPAC Name[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxybenzoyl]oxyethyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;2-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl]ethyl 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3-(oxiran-2-ylmethoxymethoxy)-4-(oxiran-2-yloxymethoxy)benzoate
SMILESC=CC(=O)OCOc1ccc(-c2ccc(OC(=O)c3ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c3)c(/C=N/Nc3nc4ccccc4s3)c2)cc1.C=CC(=O)OCOc1ccc(C(=O)OCCc2ccc(CCOC(=O)c3ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c3)c(/C=N/N(CCO)c3nc4ccccc4s3)c2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C(=O)OCCc3ccc(OC(=O)c4ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c4)c(/C=N/Nc4nc5ccccc5s4)c3)cc2)cc1.CCCN(/N=C/c1cc(CCOC(=O)c2ccc(OCOCC3CO3)cc2)ccc1OC(=O)c1ccc(OCOC2CO2)c(OCOCC2CO2)c1)c1nc2ccccc2s1
InChIInChI=1S/C49H39N3O15S.C46H43N3O14S.C44H45N3O13S.C39H31N3O11S/c1-4-43(53)63-28-60-36-17-12-33(13-18-36)47(57)66-37-19-14-32(15-20-37)46(56)59-24-23-31-11-21-39(35(25-31)27-50-52-49-51-38-9-7-8-10-42(38)68-49)67-48(58)34-16-22-40(61-29-64-44(54)5-2)41(26-34)62-30-65-45(55)6-3;1-4-41(51)61-28-58-36-16-13-33(14-17-36)44(54)56-23-19-31-11-12-32(35(25-31)27-47-49(21-22-50)46-48-37-9-7-8-10-40(37)64-46)20-24-57-45(55)34-15-18-38(59-29-62-42(52)5-2)39(26-34)60-30-63-43(53)6-3;1-2-16-47(44-46-36-5-3-4-6-40(36)61-44)45-20-32-18-29(15-17-52-42(48)30-8-11-33(12-9-30)56-26-50-21-34-23-53-34)7-13-37(32)60-43(49)31-10-14-38(58-28-59-41-25-55-41)39(19-31)57-27-51-22-35-24-54-35;1-4-35(43)50-22-47-29-15-11-25(12-16-29)26-13-17-31(28(19-26)21-40-42-39-41-30-9-7-8-10-34(30)54-39)53-38(46)27-14-18-32(48-23-51-36(44)5-2)33(20-27)49-24-52-37(45)6-3/h4-22,25-27H,1-3,23-24,28-30H2,(H,51,52);4-18,25-27,50H,1-3,19-24,28-30H2;3-14,18-20,34-35,41H,2,15-17,21-28H2,1H3;4-21H,1-3,22-24H2,(H,41,42)/b50-27+;47-27+;45-20+;40-21+
InChIKeyVQCJODFGPIZBDK-FYVOSPNMSA-N
XLogP27.10
TPSA774.91 Ų
H-Bond Donors3
H-Bond Acceptors69
Rotatable Bonds91
Heavy Atoms247
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003441.52
LogP ≤ 527.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1069

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-[4-(prop-2-enoyloxymethoxy)benzoyl]oxybenzoyl]oxyethyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;2-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl]ethyl 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3-(oxiran-2-ylmethoxymethoxy)-4-(oxiran-2-yloxymethoxy)benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxybenzoyl]oxyethyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;2-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl]ethyl 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3-(oxiran-2-ylmethoxymethoxy)-4-(oxiran-2-yloxymethoxy)benzoate?
The IUPAC name of [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxybenzoyl]oxyethyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;2-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl]ethyl 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3-(oxiran-2-ylmethoxymethoxy)-4-(oxiran-2-yloxymethoxy)benzoate (CID 172923104) is [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxybenzoyl]oxyethyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;2-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl]ethyl 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3-(oxiran-2-ylmethoxymethoxy)-4-(oxiran-2-yloxymethoxy)benzoate.
What is the SMILES notation for [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxybenzoyl]oxyethyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;2-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl]ethyl 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3-(oxiran-2-ylmethoxymethoxy)-4-(oxiran-2-yloxymethoxy)benzoate?
The canonical SMILES for [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxybenzoyl]oxyethyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;2-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl]ethyl 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3-(oxiran-2-ylmethoxymethoxy)-4-(oxiran-2-yloxymethoxy)benzoate is C=CC(=O)OCOc1ccc(-c2ccc(OC(=O)c3ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c3)c(/C=N/Nc3nc4ccccc4s3)c2)cc1.C=CC(=O)OCOc1ccc(C(=O)OCCc2ccc(CCOC(=O)c3ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c3)c(/C=N/N(CCO)c3nc4ccccc4s3)c2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C(=O)OCCc3ccc(OC(=O)c4ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c4)c(/C=N/Nc4nc5ccccc5s4)c3)cc2)cc1.CCCN(/N=C/c1cc(CCOC(=O)c2ccc(OCOCC3CO3)cc2)ccc1OC(=O)c1ccc(OCOC2CO2)c(OCOCC2CO2)c1)c1nc2ccccc2s1.
What is the InChIKey of [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxybenzoyl]oxyethyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;2-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl]ethyl 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3-(oxiran-2-ylmethoxymethoxy)-4-(oxiran-2-yloxymethoxy)benzoate?
The InChIKey is VQCJODFGPIZBDK-FYVOSPNMSA-N. The full InChI is InChI=1S/C49H39N3O15S.C46H43N3O14S.C44H45N3O13S.C39H31N3O11S/c1-4-43(53)63-28-60-36-17-12-33(13-18-36)47(57)66-37-19-14-32(15-20-37)46(56)59-24-23-31-11-21-39(35(25-31)27-50-52-49-51-38-9-7-8-10-42(38)68-49)67-48(58)34-16-22-40(61-29-64-44(54)5-2)41(26-34)62-30-65-45(55)6-3;1-4-41(51)61-28-58-36-16-13-33(14-17-36)44(54)56-23-19-31-11-12-32(35(25-31)27-47-49(21-22-50)46-48-37-9-7-8-10-40(37)64-46)20-24-57-45(55)34-15-18-38(59-29-62-42(52)5-2)39(26-34)60-30-63-43(53)6-3;1-2-16-47(44-46-36-5-3-4-6-40(36)61-44)45-20-32-18-29(15-17-52-42(48)30-8-11-33(12-9-30)56-26-50-21-34-23-53-34)7-13-37(32)60-43(49)31-10-14-38(58-28-59-41-25-55-41)39(19-31)57-27-51-22-35-24-54-35;1-4-35(43)50-22-47-29-15-11-25(12-16-29)26-13-17-31(28(19-26)21-40-42-39-41-30-9-7-8-10-34(30)54-39)53-38(46)27-14-18-32(48-23-51-36(44)5-2)33(20-27)49-24-52-37(45)6-3/h4-22,25-27H,1-3,23-24,28-30H2,(H,51,52);4-18,25-27,50H,1-3,19-24,28-30H2;3-14,18-20,34-35,41H,2,15-17,21-28H2,1H3;4-21H,1-3,22-24H2,(H,41,42)/b50-27+;47-27+;45-20+;40-21+.
What are the key properties of [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxybenzoyl]oxyethyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;2-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl]ethyl 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3-(oxiran-2-ylmethoxymethoxy)-4-(oxiran-2-yloxymethoxy)benzoate?
[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxybenzoyl]oxyethyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;2-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl]ethyl 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3-(oxiran-2-ylmethoxymethoxy)-4-(oxiran-2-yloxymethoxy)benzoate has a molecular weight of 3441.52 g/mol, XLogP of 27.10, 91 rotatable bonds, 3 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxybenzoyl]oxyethyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;2-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl]ethyl 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3-(oxiran-2-ylmethoxymethoxy)-4-(oxiran-2-yloxymethoxy)benzoate is sourced from PubChem (CID 172923104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).