[4-[(E)-3-[3-[(E)-[1,3-benzothiazol-2-yl-[(3-methyloxetan-3-yl)methoxymethyl]hydrazinylidene]methyl]-4-[[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-dimethylphenyl]methoxy]naphthalen-1-yl]oxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 6-(3-prop-2-enoyloxypropoxy)naphthalene-2-carboxylate;2-[1,3-benzothiazol-2-yl-[(E)-[2-[[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalen-2-yl]methoxy]-5-[[4-[4-[2-(2-oxobut-3-enoxy)ethoxy]phenyl]phenyl]methoxy]phenyl]methylideneamino]amino]ethyl prop-2-enoate;2-[4-[4-[[3-[(E)-[1,3-benzothiazol-2-yl(4-prop-2-enoyloxybutyl)hydrazinylidene]methyl]-4-[[6-[3-(oxiran-2-yloxy)propoxy]naphthalen-2-yl]methoxy]phenoxy]methyl]cyclohexyl]cyclohexyl]oxyethyl 2-methylprop-2-enoate

C187H203N9O34S3 — CID 172942184

IUPAC[4-[(E)-3-[3-[(E)-[1,3-benzothiazol-2-yl-[(3-methyloxetan-3-yl)methoxymethyl]hydrazinylidene]methyl]-4-[[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-dimethylphenyl]methoxy]naphthalen-1-yl]oxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 6-(3-prop-2-enoyloxypropoxy)naphthalene-2-carboxylate;2-[1,3-benzothiazol-2-yl-[(E)-[2-[[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalen-2-yl]methoxy]-5-[[4-[4-[2-(2-oxobut-3-enoxy)ethoxy]phenyl]phenyl]methoxy]phenyl]methylideneamino]amino]ethyl prop-2-enoate;2-[4-[4-[[3-[(E)-[1,3-benzothiazol-2-yl(4-prop-2-enoyloxybutyl)hydrazinylidene]methyl]-4-[[6-[3-(oxiran-2-yloxy)propoxy]naphthalen-2-yl]methoxy]phenoxy]methyl]cyclohexyl]cyclohexyl]oxyethyl 2-methylprop-2-enoate
SMILESC=CC(=O)COCCOc1ccc(-c2ccc(COc3ccc(OCc4ccc5cc(OCCCOCC6CCC7OC7C6)ccc5c4)c(/C=N/N(CCOC(=O)C=C)c4nc5ccccc5s4)c3)cc2)cc1.C=CC(=O)OCCCCN(/N=C/c1cc(OCC2CCC(C3CCC(OCCOC(=O)C(=C)C)CC3)CC2)ccc1OCc1ccc2cc(OCCCOC3CO3)ccc2c1)c1nc2ccccc2s1.C=CC(=O)OCCCOc1ccc2cc(C(=O)Oc3ccc(/C=C/C(=O)Oc4cc(/C=N/N(COCC5(C)COC5)c5nc6ccccc6s5)c(OCc5cc(C)c(OCCCCCCOCC6(CC)COC6)c(C)c5)c5ccccc45)cc3OC)ccc2c1
InChIInChI=1S/C72H77N3O14S.C59H59N3O10S.C56H67N3O10S/c1-7-65(76)85-33-17-32-84-57-27-26-53-37-55(25-24-54(53)38-57)69(78)89-61-28-22-51(36-63(61)79-6)23-29-66(77)88-62-39-56(40-73-75(48-83-44-71(5)42-81-43-71)70-74-60-20-13-14-21-64(60)90-70)68(59-19-12-11-18-58(59)62)87-41-52-34-49(3)67(50(4)35-52)86-31-16-10-9-15-30-80-45-72(8-2)46-82-47-72;1-3-49(63)40-66-30-31-68-50-20-17-45(18-21-50)44-14-10-41(11-15-44)38-70-52-23-25-54(48(35-52)36-60-62(26-29-69-58(64)4-2)59-61-53-8-5-6-9-57(53)73-59)71-39-42-12-16-47-34-51(22-19-46(47)32-42)67-28-7-27-65-37-43-13-24-55-56(33-43)72-55;1-4-53(60)64-27-8-7-26-59(56-58-50-10-5-6-11-52(50)70-56)57-35-46-34-49(67-36-40-12-15-42(16-13-40)43-18-21-47(22-19-43)63-30-31-66-55(61)39(2)3)24-25-51(46)68-37-41-14-17-45-33-48(23-20-44(45)32-41)62-28-9-29-65-54-38-69-54/h7,11-14,18-29,34-40H,1,8-10,15-17,30-33,41-48H2,2-6H3;3-6,8-12,14-23,25,32,34-36,43,55-56H,1-2,7,13,24,26-31,33,37-40H2;4-6,10-11,14,17,20,23-25,32-35,40,42-43,47,54H,1-2,7-9,12-13,15-16,18-19,21-22,26-31,36-38H2,3H3/b29-23+,73-40+;60-36+;57-35+
InChIKeyIGMPZIJNXGTCDZ-QOLDOQBBSA-N
MW3216.91 g/mol
LogP37.12
Rot. Bonds88

About [4-[(E)-3-[3-[(E)-[1,3-benzothiazol-2-yl-[(3-methyloxetan-3-yl)methoxymethyl]hydrazinylidene]methyl]-4-[[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-dimethylphenyl]methoxy]naphthalen-1-yl]oxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 6-(3-prop-2-enoyloxypropoxy)naphthalene-2-carboxylate;2-[1,3-benzothiazol-2-yl-[(E)-[2-[[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalen-2-yl]methoxy]-5-[[4-[4-[2-(2-oxobut-3-enoxy)ethoxy]phenyl]phenyl]methoxy]phenyl]methylideneamino]amino]ethyl prop-2-enoate;2-[4-[4-[[3-[(E)-[1,3-benzothiazol-2-yl(4-prop-2-enoyloxybutyl)hydrazinylidene]methyl]-4-[[6-[3-(oxiran-2-yloxy)propoxy]naphthalen-2-yl]methoxy]phenoxy]methyl]cyclohexyl]cyclohexyl]oxyethyl 2-methylprop-2-enoate

[4-[(E)-3-[3-[(E)-[1,3-benzothiazol-2-yl-[(3-methyloxetan-3-yl)methoxymethyl]hydrazinylidene]methyl]-4-[[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-dimethylphenyl]methoxy]naphthalen-1-yl]oxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 6-(3-prop-2-enoyloxypropoxy)naphthalene-2-carboxylate;2-[1,3-benzothiazol-2-yl-[(E)-[2-[[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalen-2-yl]methoxy]-5-[[4-[4-[2-(2-oxobut-3-enoxy)ethoxy]phenyl]phenyl]methoxy]phenyl]methylideneamino]amino]ethyl prop-2-enoate;2-[4-[4-[[3-[(E)-[1,3-benzothiazol-2-yl(4-prop-2-enoyloxybutyl)hydrazinylidene]methyl]-4-[[6-[3-(oxiran-2-yloxy)propoxy]naphthalen-2-yl]methoxy]phenoxy]methyl]cyclohexyl]cyclohexyl]oxyethyl 2-methylprop-2-enoate (PubChem CID 172942184) has the molecular formula C187H203N9O34S3 and a molecular weight of 3216.91 g/mol. Its IUPAC name is [4-[(E)-3-[3-[(E)-[1,3-benzothiazol-2-yl-[(3-methyloxetan-3-yl)methoxymethyl]hydrazinylidene]methyl]-4-[[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-dimethylphenyl]methoxy]naphthalen-1-yl]oxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 6-(3-prop-2-enoyloxypropoxy)naphthalene-2-carboxylate;2-[1,3-benzothiazol-2-yl-[(E)-[2-[[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalen-2-yl]methoxy]-5-[[4-[4-[2-(2-oxobut-3-enoxy)ethoxy]phenyl]phenyl]methoxy]phenyl]methylideneamino]amino]ethyl prop-2-enoate;2-[4-[4-[[3-[(E)-[1,3-benzothiazol-2-yl(4-prop-2-enoyloxybutyl)hydrazinylidene]methyl]-4-[[6-[3-(oxiran-2-yloxy)propoxy]naphthalen-2-yl]methoxy]phenoxy]methyl]cyclohexyl]cyclohexyl]oxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[(E)-3-[3-[(E)-[1,3-benzothiazol-2-yl-[(3-methyloxetan-3-yl)methoxymethyl]hydrazinylidene]methyl]-4-[[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-dimethylphenyl]methoxy]naphthalen-1-yl]oxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 6-(3-prop-2-enoyloxypropoxy)naphthalene-2-carboxylate;2-[1,3-benzothiazol-2-yl-[(E)-[2-[[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalen-2-yl]methoxy]-5-[[4-[4-[2-(2-oxobut-3-enoxy)ethoxy]phenyl]phenyl]methoxy]phenyl]methylideneamino]amino]ethyl prop-2-enoate;2-[4-[4-[[3-[(E)-[1,3-benzothiazol-2-yl(4-prop-2-enoyloxybutyl)hydrazinylidene]methyl]-4-[[6-[3-(oxiran-2-yloxy)propoxy]naphthalen-2-yl]methoxy]phenoxy]methyl]cyclohexyl]cyclohexyl]oxyethyl 2-methylprop-2-enoate
PubChem CID172942184
Molecular FormulaC187H203N9O34S3
Molecular Weight3216.91 g/mol
Exact Mass3214.36
IUPAC Name[4-[(E)-3-[3-[(E)-[1,3-benzothiazol-2-yl-[(3-methyloxetan-3-yl)methoxymethyl]hydrazinylidene]methyl]-4-[[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-dimethylphenyl]methoxy]naphthalen-1-yl]oxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 6-(3-prop-2-enoyloxypropoxy)naphthalene-2-carboxylate;2-[1,3-benzothiazol-2-yl-[(E)-[2-[[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalen-2-yl]methoxy]-5-[[4-[4-[2-(2-oxobut-3-enoxy)ethoxy]phenyl]phenyl]methoxy]phenyl]methylideneamino]amino]ethyl prop-2-enoate;2-[4-[4-[[3-[(E)-[1,3-benzothiazol-2-yl(4-prop-2-enoyloxybutyl)hydrazinylidene]methyl]-4-[[6-[3-(oxiran-2-yloxy)propoxy]naphthalen-2-yl]methoxy]phenoxy]methyl]cyclohexyl]cyclohexyl]oxyethyl 2-methylprop-2-enoate
SMILESC=CC(=O)COCCOc1ccc(-c2ccc(COc3ccc(OCc4ccc5cc(OCCCOCC6CCC7OC7C6)ccc5c4)c(/C=N/N(CCOC(=O)C=C)c4nc5ccccc5s4)c3)cc2)cc1.C=CC(=O)OCCCCN(/N=C/c1cc(OCC2CCC(C3CCC(OCCOC(=O)C(=C)C)CC3)CC2)ccc1OCc1ccc2cc(OCCCOC3CO3)ccc2c1)c1nc2ccccc2s1.C=CC(=O)OCCCOc1ccc2cc(C(=O)Oc3ccc(/C=C/C(=O)Oc4cc(/C=N/N(COCC5(C)COC5)c5nc6ccccc6s5)c(OCc5cc(C)c(OCCCCCCOCC6(CC)COC6)c(C)c5)c5ccccc45)cc3OC)ccc2c1
InChIInChI=1S/C72H77N3O14S.C59H59N3O10S.C56H67N3O10S/c1-7-65(76)85-33-17-32-84-57-27-26-53-37-55(25-24-54(53)38-57)69(78)89-61-28-22-51(36-63(61)79-6)23-29-66(77)88-62-39-56(40-73-75(48-83-44-71(5)42-81-43-71)70-74-60-20-13-14-21-64(60)90-70)68(59-19-12-11-18-58(59)62)87-41-52-34-49(3)67(50(4)35-52)86-31-16-10-9-15-30-80-45-72(8-2)46-82-47-72;1-3-49(63)40-66-30-31-68-50-20-17-45(18-21-50)44-14-10-41(11-15-44)38-70-52-23-25-54(48(35-52)36-60-62(26-29-69-58(64)4-2)59-61-53-8-5-6-9-57(53)73-59)71-39-42-12-16-47-34-51(22-19-46(47)32-42)67-28-7-27-65-37-43-13-24-55-56(33-43)72-55;1-4-53(60)64-27-8-7-26-59(56-58-50-10-5-6-11-52(50)70-56)57-35-46-34-49(67-36-40-12-15-42(16-13-40)43-18-21-47(22-19-43)63-30-31-66-55(61)39(2)3)24-25-51(46)68-37-41-14-17-45-33-48(23-20-44(45)32-41)62-28-9-29-65-54-38-69-54/h7,11-14,18-29,34-40H,1,8-10,15-17,30-33,41-48H2,2-6H3;3-6,8-12,14-23,25,32,34-36,43,55-56H,1-2,7,13,24,26-31,33,37-40H2;4-6,10-11,14,17,20,23-25,32-35,40,42-43,47,54H,1-2,7-9,12-13,15-16,18-19,21-22,26-31,36-38H2,3H3/b29-23+,73-40+;60-36+;57-35+
InChIKeyIGMPZIJNXGTCDZ-QOLDOQBBSA-N
XLogP37.12
TPSA460.77 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds88
Heavy Atoms233
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003216.91
LogP ≤ 537.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

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 [4-[(E)-3-[3-[(E)-[1,3-benzothiazol-2-yl-[(3-methyloxetan-3-yl)methoxymethyl]hydrazinylidene]methyl]-4-[[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-dimethylphenyl]methoxy]naphthalen-1-yl]oxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 6-(3-prop-2-enoyloxypropoxy)naphthalene-2-carboxylate;2-[1,3-benzothiazol-2-yl-[(E)-[2-[[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalen-2-yl]methoxy]-5-[[4-[4-[2-(2-oxobut-3-enoxy)ethoxy]phenyl]phenyl]methoxy]phenyl]methylideneamino]amino]ethyl prop-2-enoate;2-[4-[4-[[3-[(E)-[1,3-benzothiazol-2-yl(4-prop-2-enoyloxybutyl)hydrazinylidene]methyl]-4-[[6-[3-(oxiran-2-yloxy)propoxy]naphthalen-2-yl]methoxy]phenoxy]methyl]cyclohexyl]cyclohexyl]oxyethyl 2-methylprop-2-enoate 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

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-3-[3-[(E)-[1,3-benzothiazol-2-yl-[(3-methyloxetan-3-yl)methoxymethyl]hydrazinylidene]methyl]-4-[[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-dimethylphenyl]methoxy]naphthalen-1-yl]oxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 6-(3-prop-2-enoyloxypropoxy)naphthalene-2-carboxylate;2-[1,3-benzothiazol-2-yl-[(E)-[2-[[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalen-2-yl]methoxy]-5-[[4-[4-[2-(2-oxobut-3-enoxy)ethoxy]phenyl]phenyl]methoxy]phenyl]methylideneamino]amino]ethyl prop-2-enoate;2-[4-[4-[[3-[(E)-[1,3-benzothiazol-2-yl(4-prop-2-enoyloxybutyl)hydrazinylidene]methyl]-4-[[6-[3-(oxiran-2-yloxy)propoxy]naphthalen-2-yl]methoxy]phenoxy]methyl]cyclohexyl]cyclohexyl]oxyethyl 2-methylprop-2-enoate?
The IUPAC name of [4-[(E)-3-[3-[(E)-[1,3-benzothiazol-2-yl-[(3-methyloxetan-3-yl)methoxymethyl]hydrazinylidene]methyl]-4-[[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-dimethylphenyl]methoxy]naphthalen-1-yl]oxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 6-(3-prop-2-enoyloxypropoxy)naphthalene-2-carboxylate;2-[1,3-benzothiazol-2-yl-[(E)-[2-[[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalen-2-yl]methoxy]-5-[[4-[4-[2-(2-oxobut-3-enoxy)ethoxy]phenyl]phenyl]methoxy]phenyl]methylideneamino]amino]ethyl prop-2-enoate;2-[4-[4-[[3-[(E)-[1,3-benzothiazol-2-yl(4-prop-2-enoyloxybutyl)hydrazinylidene]methyl]-4-[[6-[3-(oxiran-2-yloxy)propoxy]naphthalen-2-yl]methoxy]phenoxy]methyl]cyclohexyl]cyclohexyl]oxyethyl 2-methylprop-2-enoate (CID 172942184) is [4-[(E)-3-[3-[(E)-[1,3-benzothiazol-2-yl-[(3-methyloxetan-3-yl)methoxymethyl]hydrazinylidene]methyl]-4-[[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-dimethylphenyl]methoxy]naphthalen-1-yl]oxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 6-(3-prop-2-enoyloxypropoxy)naphthalene-2-carboxylate;2-[1,3-benzothiazol-2-yl-[(E)-[2-[[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalen-2-yl]methoxy]-5-[[4-[4-[2-(2-oxobut-3-enoxy)ethoxy]phenyl]phenyl]methoxy]phenyl]methylideneamino]amino]ethyl prop-2-enoate;2-[4-[4-[[3-[(E)-[1,3-benzothiazol-2-yl(4-prop-2-enoyloxybutyl)hydrazinylidene]methyl]-4-[[6-[3-(oxiran-2-yloxy)propoxy]naphthalen-2-yl]methoxy]phenoxy]methyl]cyclohexyl]cyclohexyl]oxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for [4-[(E)-3-[3-[(E)-[1,3-benzothiazol-2-yl-[(3-methyloxetan-3-yl)methoxymethyl]hydrazinylidene]methyl]-4-[[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-dimethylphenyl]methoxy]naphthalen-1-yl]oxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 6-(3-prop-2-enoyloxypropoxy)naphthalene-2-carboxylate;2-[1,3-benzothiazol-2-yl-[(E)-[2-[[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalen-2-yl]methoxy]-5-[[4-[4-[2-(2-oxobut-3-enoxy)ethoxy]phenyl]phenyl]methoxy]phenyl]methylideneamino]amino]ethyl prop-2-enoate;2-[4-[4-[[3-[(E)-[1,3-benzothiazol-2-yl(4-prop-2-enoyloxybutyl)hydrazinylidene]methyl]-4-[[6-[3-(oxiran-2-yloxy)propoxy]naphthalen-2-yl]methoxy]phenoxy]methyl]cyclohexyl]cyclohexyl]oxyethyl 2-methylprop-2-enoate?
The canonical SMILES for [4-[(E)-3-[3-[(E)-[1,3-benzothiazol-2-yl-[(3-methyloxetan-3-yl)methoxymethyl]hydrazinylidene]methyl]-4-[[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-dimethylphenyl]methoxy]naphthalen-1-yl]oxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 6-(3-prop-2-enoyloxypropoxy)naphthalene-2-carboxylate;2-[1,3-benzothiazol-2-yl-[(E)-[2-[[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalen-2-yl]methoxy]-5-[[4-[4-[2-(2-oxobut-3-enoxy)ethoxy]phenyl]phenyl]methoxy]phenyl]methylideneamino]amino]ethyl prop-2-enoate;2-[4-[4-[[3-[(E)-[1,3-benzothiazol-2-yl(4-prop-2-enoyloxybutyl)hydrazinylidene]methyl]-4-[[6-[3-(oxiran-2-yloxy)propoxy]naphthalen-2-yl]methoxy]phenoxy]methyl]cyclohexyl]cyclohexyl]oxyethyl 2-methylprop-2-enoate is C=CC(=O)COCCOc1ccc(-c2ccc(COc3ccc(OCc4ccc5cc(OCCCOCC6CCC7OC7C6)ccc5c4)c(/C=N/N(CCOC(=O)C=C)c4nc5ccccc5s4)c3)cc2)cc1.C=CC(=O)OCCCCN(/N=C/c1cc(OCC2CCC(C3CCC(OCCOC(=O)C(=C)C)CC3)CC2)ccc1OCc1ccc2cc(OCCCOC3CO3)ccc2c1)c1nc2ccccc2s1.C=CC(=O)OCCCOc1ccc2cc(C(=O)Oc3ccc(/C=C/C(=O)Oc4cc(/C=N/N(COCC5(C)COC5)c5nc6ccccc6s5)c(OCc5cc(C)c(OCCCCCCOCC6(CC)COC6)c(C)c5)c5ccccc45)cc3OC)ccc2c1.
What is the InChIKey of [4-[(E)-3-[3-[(E)-[1,3-benzothiazol-2-yl-[(3-methyloxetan-3-yl)methoxymethyl]hydrazinylidene]methyl]-4-[[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-dimethylphenyl]methoxy]naphthalen-1-yl]oxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 6-(3-prop-2-enoyloxypropoxy)naphthalene-2-carboxylate;2-[1,3-benzothiazol-2-yl-[(E)-[2-[[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalen-2-yl]methoxy]-5-[[4-[4-[2-(2-oxobut-3-enoxy)ethoxy]phenyl]phenyl]methoxy]phenyl]methylideneamino]amino]ethyl prop-2-enoate;2-[4-[4-[[3-[(E)-[1,3-benzothiazol-2-yl(4-prop-2-enoyloxybutyl)hydrazinylidene]methyl]-4-[[6-[3-(oxiran-2-yloxy)propoxy]naphthalen-2-yl]methoxy]phenoxy]methyl]cyclohexyl]cyclohexyl]oxyethyl 2-methylprop-2-enoate?
The InChIKey is IGMPZIJNXGTCDZ-QOLDOQBBSA-N. The full InChI is InChI=1S/C72H77N3O14S.C59H59N3O10S.C56H67N3O10S/c1-7-65(76)85-33-17-32-84-57-27-26-53-37-55(25-24-54(53)38-57)69(78)89-61-28-22-51(36-63(61)79-6)23-29-66(77)88-62-39-56(40-73-75(48-83-44-71(5)42-81-43-71)70-74-60-20-13-14-21-64(60)90-70)68(59-19-12-11-18-58(59)62)87-41-52-34-49(3)67(50(4)35-52)86-31-16-10-9-15-30-80-45-72(8-2)46-82-47-72;1-3-49(63)40-66-30-31-68-50-20-17-45(18-21-50)44-14-10-41(11-15-44)38-70-52-23-25-54(48(35-52)36-60-62(26-29-69-58(64)4-2)59-61-53-8-5-6-9-57(53)73-59)71-39-42-12-16-47-34-51(22-19-46(47)32-42)67-28-7-27-65-37-43-13-24-55-56(33-43)72-55;1-4-53(60)64-27-8-7-26-59(56-58-50-10-5-6-11-52(50)70-56)57-35-46-34-49(67-36-40-12-15-42(16-13-40)43-18-21-47(22-19-43)63-30-31-66-55(61)39(2)3)24-25-51(46)68-37-41-14-17-45-33-48(23-20-44(45)32-41)62-28-9-29-65-54-38-69-54/h7,11-14,18-29,34-40H,1,8-10,15-17,30-33,41-48H2,2-6H3;3-6,8-12,14-23,25,32,34-36,43,55-56H,1-2,7,13,24,26-31,33,37-40H2;4-6,10-11,14,17,20,23-25,32-35,40,42-43,47,54H,1-2,7-9,12-13,15-16,18-19,21-22,26-31,36-38H2,3H3/b29-23+,73-40+;60-36+;57-35+.
What are the key properties of [4-[(E)-3-[3-[(E)-[1,3-benzothiazol-2-yl-[(3-methyloxetan-3-yl)methoxymethyl]hydrazinylidene]methyl]-4-[[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-dimethylphenyl]methoxy]naphthalen-1-yl]oxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 6-(3-prop-2-enoyloxypropoxy)naphthalene-2-carboxylate;2-[1,3-benzothiazol-2-yl-[(E)-[2-[[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalen-2-yl]methoxy]-5-[[4-[4-[2-(2-oxobut-3-enoxy)ethoxy]phenyl]phenyl]methoxy]phenyl]methylideneamino]amino]ethyl prop-2-enoate;2-[4-[4-[[3-[(E)-[1,3-benzothiazol-2-yl(4-prop-2-enoyloxybutyl)hydrazinylidene]methyl]-4-[[6-[3-(oxiran-2-yloxy)propoxy]naphthalen-2-yl]methoxy]phenoxy]methyl]cyclohexyl]cyclohexyl]oxyethyl 2-methylprop-2-enoate?
[4-[(E)-3-[3-[(E)-[1,3-benzothiazol-2-yl-[(3-methyloxetan-3-yl)methoxymethyl]hydrazinylidene]methyl]-4-[[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-dimethylphenyl]methoxy]naphthalen-1-yl]oxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 6-(3-prop-2-enoyloxypropoxy)naphthalene-2-carboxylate;2-[1,3-benzothiazol-2-yl-[(E)-[2-[[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalen-2-yl]methoxy]-5-[[4-[4-[2-(2-oxobut-3-enoxy)ethoxy]phenyl]phenyl]methoxy]phenyl]methylideneamino]amino]ethyl prop-2-enoate;2-[4-[4-[[3-[(E)-[1,3-benzothiazol-2-yl(4-prop-2-enoyloxybutyl)hydrazinylidene]methyl]-4-[[6-[3-(oxiran-2-yloxy)propoxy]naphthalen-2-yl]methoxy]phenoxy]methyl]cyclohexyl]cyclohexyl]oxyethyl 2-methylprop-2-enoate has a molecular weight of 3216.91 g/mol, XLogP of 37.12, 88 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-3-[3-[(E)-[1,3-benzothiazol-2-yl-[(3-methyloxetan-3-yl)methoxymethyl]hydrazinylidene]methyl]-4-[[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-dimethylphenyl]methoxy]naphthalen-1-yl]oxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 6-(3-prop-2-enoyloxypropoxy)naphthalene-2-carboxylate;2-[1,3-benzothiazol-2-yl-[(E)-[2-[[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalen-2-yl]methoxy]-5-[[4-[4-[2-(2-oxobut-3-enoxy)ethoxy]phenyl]phenyl]methoxy]phenyl]methylideneamino]amino]ethyl prop-2-enoate;2-[4-[4-[[3-[(E)-[1,3-benzothiazol-2-yl(4-prop-2-enoyloxybutyl)hydrazinylidene]methyl]-4-[[6-[3-(oxiran-2-yloxy)propoxy]naphthalen-2-yl]methoxy]phenoxy]methyl]cyclohexyl]cyclohexyl]oxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 172942184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).