2-[2-[(E)-[2-aminoethyl(1,3-benzothiazol-2-yl)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-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-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3,4-bis(oxiran-2-ylmethoxymethoxy)benzoate;methane

C215H305N13O52S4 — CID 172974046

IUPAC2-[2-[(E)-[2-aminoethyl(1,3-benzothiazol-2-yl)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-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-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3,4-bis(oxiran-2-ylmethoxymethoxy)benzoate;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.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(CCN)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(OCOCC2CO2)c(OCOCC2CO2)c1)c1nc2ccccc2s1
InChIInChI=1S/C49H39N3O15S.C46H44N4O13S.C45H47N3O13S.C39H31N3O11S.36CH4/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)27-48-50(22-21-47)46-49-37-9-7-8-10-40(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;1-2-16-48(45-47-38-5-3-4-6-42(38)62-45)46-20-33-18-30(15-17-54-43(49)31-8-11-34(12-9-31)58-27-51-21-35-24-55-35)7-13-39(33)61-44(50)32-10-14-40(59-28-52-22-36-25-56-36)41(19-32)60-29-53-23-37-26-57-37;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);4-18,25-27H,1-3,19-24,28-30,47H2;3-14,18-20,35-37H,2,15-17,21-29H2,1H3;4-21H,1-3,22-24H2,(H,41,42);36*1H4/b50-27+;48-27+;46-20+;40-21+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyRGSWBEPOEPLQNF-TXELOVGDSA-N
MW4032.11 g/mol
LogP50.01
Rot. Bonds92

About 2-[2-[(E)-[2-aminoethyl(1,3-benzothiazol-2-yl)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-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-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3,4-bis(oxiran-2-ylmethoxymethoxy)benzoate;methane

2-[2-[(E)-[2-aminoethyl(1,3-benzothiazol-2-yl)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-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-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3,4-bis(oxiran-2-ylmethoxymethoxy)benzoate;methane (PubChem CID 172974046) has the molecular formula C215H305N13O52S4 and a molecular weight of 4032.11 g/mol. Its IUPAC name is 2-[2-[(E)-[2-aminoethyl(1,3-benzothiazol-2-yl)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-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-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3,4-bis(oxiran-2-ylmethoxymethoxy)benzoate;methane.

Molecular Properties

Compound Name2-[2-[(E)-[2-aminoethyl(1,3-benzothiazol-2-yl)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-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-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3,4-bis(oxiran-2-ylmethoxymethoxy)benzoate;methane
PubChem CID172974046
Molecular FormulaC215H305N13O52S4
Molecular Weight4032.11 g/mol
Exact Mass4029.05
IUPAC Name2-[2-[(E)-[2-aminoethyl(1,3-benzothiazol-2-yl)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-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-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3,4-bis(oxiran-2-ylmethoxymethoxy)benzoate;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.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(CCN)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(OCOCC2CO2)c(OCOCC2CO2)c1)c1nc2ccccc2s1
InChIInChI=1S/C49H39N3O15S.C46H44N4O13S.C45H47N3O13S.C39H31N3O11S.36CH4/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)27-48-50(22-21-47)46-49-37-9-7-8-10-40(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;1-2-16-48(45-47-38-5-3-4-6-42(38)62-45)46-20-33-18-30(15-17-54-43(49)31-8-11-34(12-9-31)58-27-51-21-35-24-55-35)7-13-39(33)61-44(50)32-10-14-40(59-28-52-22-36-25-56-36)41(19-32)60-29-53-23-37-26-57-37;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);4-18,25-27H,1-3,19-24,28-30,47H2;3-14,18-20,35-37H,2,15-17,21-29H2,1H3;4-21H,1-3,22-24H2,(H,41,42);36*1H4/b50-27+;48-27+;46-20+;40-21+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyRGSWBEPOEPLQNF-TXELOVGDSA-N
XLogP50.01
TPSA780.70 Ų
H-Bond Donors3
H-Bond Acceptors69
Rotatable Bonds92
Heavy Atoms284
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004032.11
LogP ≤ 550.01
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-[2-[(E)-[2-aminoethyl(1,3-benzothiazol-2-yl)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-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-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3,4-bis(oxiran-2-ylmethoxymethoxy)benzoate;methane with MolForge

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Related Compounds

[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
2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(2-methylprop-2-enoyloxymethoxy)benzoate;2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyphenyl]ethyl 4-(oxiran-2-ylmethoxymethoxy)benzoate;2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoxymethoxy)benzoate;2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate
CID 172974840
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
2-[3-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[2-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxyethyl]phenyl]ethyl 4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoate;[2-[(E)-[1,3-benzothiazol-2-yl(propanoyl)hydrazinylidene]methyl]-4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]phenyl] 4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoate
CID 172949185
[3-[(E)-[1,3-benzothiazol-2-yl(4-cyanobutyl)hydrazinylidene]methyl]-4-[2-(4-propylbenzoyl)oxyethyl]phenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3-methylbenzoate;6-[4-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylphenyl)phenyl]phenoxy]hexyl prop-2-enoate;3-[4-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylphenyl)phenyl]phenoxy]propyl prop-2-enoate
CID 172971831
2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(2,5-dioxopyrrol-1-yl)methoxymethoxy]benzoyl]oxyphenyl]ethyl 4-[(2,5-dioxopyrrol-1-yl)methoxymethoxy]benzoate;2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(3-methyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]ethyl 4-[(3-methyloxetan-3-yl)methoxymethoxy]benzoate;2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyphenyl]ethyl 4-(oxiran-2-ylmethoxymethoxy)benzoate
CID 172935422
[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate
CID 172917732
2-[3-[(E)-(benzo[e][1,3]benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-prop-2-enoyloxybenzoyl)oxyphenyl] 4-prop-2-enoyloxybenzoate;methane
CID 172918766
[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-[3-[(E)-(benzo[e][1,3]benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(propanoyloxymethoxy)-3-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4,5-bis(prop-2-enoyloxymethoxy)phenyl] 4-(propanoyloxymethoxy)-3-(prop-2-enoyloxymethoxy)benzoate;2-[3-[(E)-[(6-chloro-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-4-[4-(propanoyloxymethoxy)-3-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 3,4-bis(prop-2-enoyloxymethoxy)benzoate;methane
CID 172921993
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-[3,4-dioxo-4-[4-(prop-2-enoyloxymethoxy)phenyl]butyl]phenyl] 3-(3-oxopent-4-enoxy)-4-(prop-2-enoyloxymethoxy)benzoate
CID 140915672

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-[2-aminoethyl(1,3-benzothiazol-2-yl)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-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-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3,4-bis(oxiran-2-ylmethoxymethoxy)benzoate;methane?
The IUPAC name of 2-[2-[(E)-[2-aminoethyl(1,3-benzothiazol-2-yl)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-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-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3,4-bis(oxiran-2-ylmethoxymethoxy)benzoate;methane (CID 172974046) is 2-[2-[(E)-[2-aminoethyl(1,3-benzothiazol-2-yl)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-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-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3,4-bis(oxiran-2-ylmethoxymethoxy)benzoate;methane.
What is the SMILES notation for 2-[2-[(E)-[2-aminoethyl(1,3-benzothiazol-2-yl)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-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-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3,4-bis(oxiran-2-ylmethoxymethoxy)benzoate;methane?
The canonical SMILES for 2-[2-[(E)-[2-aminoethyl(1,3-benzothiazol-2-yl)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-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-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3,4-bis(oxiran-2-ylmethoxymethoxy)benzoate;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.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(CCN)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(OCOCC2CO2)c(OCOCC2CO2)c1)c1nc2ccccc2s1.
What is the InChIKey of 2-[2-[(E)-[2-aminoethyl(1,3-benzothiazol-2-yl)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-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-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3,4-bis(oxiran-2-ylmethoxymethoxy)benzoate;methane?
The InChIKey is RGSWBEPOEPLQNF-TXELOVGDSA-N. The full InChI is InChI=1S/C49H39N3O15S.C46H44N4O13S.C45H47N3O13S.C39H31N3O11S.36CH4/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)27-48-50(22-21-47)46-49-37-9-7-8-10-40(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;1-2-16-48(45-47-38-5-3-4-6-42(38)62-45)46-20-33-18-30(15-17-54-43(49)31-8-11-34(12-9-31)58-27-51-21-35-24-55-35)7-13-39(33)61-44(50)32-10-14-40(59-28-52-22-36-25-56-36)41(19-32)60-29-53-23-37-26-57-37;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);4-18,25-27H,1-3,19-24,28-30,47H2;3-14,18-20,35-37H,2,15-17,21-29H2,1H3;4-21H,1-3,22-24H2,(H,41,42);36*1H4/b50-27+;48-27+;46-20+;40-21+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 2-[2-[(E)-[2-aminoethyl(1,3-benzothiazol-2-yl)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-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-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3,4-bis(oxiran-2-ylmethoxymethoxy)benzoate;methane?
2-[2-[(E)-[2-aminoethyl(1,3-benzothiazol-2-yl)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-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-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3,4-bis(oxiran-2-ylmethoxymethoxy)benzoate;methane has a molecular weight of 4032.11 g/mol, XLogP of 50.01, 92 rotatable bonds, 3 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-[2-aminoethyl(1,3-benzothiazol-2-yl)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-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-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3,4-bis(oxiran-2-ylmethoxymethoxy)benzoate;methane is sourced from PubChem (CID 172974046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).