methane;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[5-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-2-methyl-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(2-prop-2-enoyloxyethyl)hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate

C249H342N12O58S4 — CID 172948891

IUPACmethane;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[5-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-2-methyl-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(2-prop-2-enoyloxyethyl)hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate
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=CC(=O)OCCN(/N=C/c1cc(OCC2CCC(C(=O)Oc3ccc(OCOC(=O)C=C)cc3)CC2)ccc1OCC1CCC(C(=O)Oc2ccc(OCOC(=O)C=C)cc2)CC1)c1nc2ccccc2s1.C=CC(=O)OCCOCCOCCN(/N=C/c1cc(OCC2CCC(C(=O)Oc3ccc(OCOC(=O)C=C)cc3)CC2)ccc1OCC1CCC(C(=O)Oc2ccc(OCOC(=O)C=C)cc2)CC1)c1nc2ccccc2s1.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(COc3cc(/C=N/N(CCOCCOC)c4nc5ccccc5s4)c(OCC4CCC(C(=O)Oc5ccc(OCOC(=O)C=C)cc5)CC4)cc3C)CC2)cc1.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(COc3ccc(OCC4CCC(C(=O)Oc5ccc(OCOC(=O)C=C)cc5)CC4)c(/C=N/N(CCOCCOC)c4nc5ccccc5s4)c3)CC2)cc1
InChIInChI=1S/C59H65N3O16S.C56H63N3O14S.C55H61N3O14S.C55H57N3O14S.24CH4/c1-4-54(63)70-34-33-69-32-31-68-30-29-62(59-61-51-9-7-8-10-53(51)79-59)60-36-45-35-50(71-37-41-11-15-43(16-12-41)57(66)77-48-23-19-46(20-24-48)73-39-75-55(64)5-2)27-28-52(45)72-38-42-13-17-44(18-14-42)58(67)78-49-25-21-47(22-26-49)74-40-76-56(65)6-3;1-5-52(60)70-36-68-44-19-23-46(24-20-44)72-54(62)41-15-11-39(12-16-41)34-66-49-32-43(33-57-59(27-28-65-30-29-64-4)56-58-48-9-7-8-10-51(48)74-56)50(31-38(49)3)67-35-40-13-17-42(18-14-40)55(63)73-47-25-21-45(22-26-47)69-37-71-53(61)6-2;1-4-51(59)69-36-67-43-18-22-45(23-19-43)71-53(61)40-14-10-38(11-15-40)34-65-47-26-27-49(42(32-47)33-56-58(28-29-64-31-30-63-3)55-57-48-8-6-7-9-50(48)73-55)66-35-39-12-16-41(17-13-39)54(62)72-46-24-20-44(21-25-46)68-37-70-52(60)5-2;1-4-50(59)64-30-29-58(55-57-47-9-7-8-10-49(47)73-55)56-32-41-31-46(65-33-37-11-15-39(16-12-37)53(62)71-44-23-19-42(20-24-44)67-35-69-51(60)5-2)27-28-48(41)66-34-38-13-17-40(18-14-38)54(63)72-45-25-21-43(22-26-45)68-36-70-52(61)6-3;;;;;;;;;;;;;;;;;;;;;;;;/h4-10,19-28,35-36,41-44H,1-3,11-18,29-34,37-40H2;5-10,19-26,31-33,39-42H,1-2,11-18,27-30,34-37H2,3-4H3;4-9,18-27,32-33,38-41H,1-2,10-17,28-31,34-37H2,3H3;4-10,19-28,31-32,37-40H,1-3,11-18,29-30,33-36H2;24*1H4/b60-36+;57-33+;56-33+;56-32+;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyGCIDFQBXAPZJLF-HTRQHHJCSA-N
MW4559.77 g/mol
LogP53.79
Rot. Bonds110

About methane;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[5-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-2-methyl-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(2-prop-2-enoyloxyethyl)hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate

methane;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[5-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-2-methyl-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(2-prop-2-enoyloxyethyl)hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate (PubChem CID 172948891) has the molecular formula C249H342N12O58S4 and a molecular weight of 4559.77 g/mol. Its IUPAC name is methane;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[5-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-2-methyl-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(2-prop-2-enoyloxyethyl)hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethane;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[5-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-2-methyl-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(2-prop-2-enoyloxyethyl)hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate
PubChem CID172948891
Molecular FormulaC249H342N12O58S4
Molecular Weight4559.77 g/mol
Exact Mass4556.31
IUPAC Namemethane;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[5-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-2-methyl-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(2-prop-2-enoyloxyethyl)hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate
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=CC(=O)OCCN(/N=C/c1cc(OCC2CCC(C(=O)Oc3ccc(OCOC(=O)C=C)cc3)CC2)ccc1OCC1CCC(C(=O)Oc2ccc(OCOC(=O)C=C)cc2)CC1)c1nc2ccccc2s1.C=CC(=O)OCCOCCOCCN(/N=C/c1cc(OCC2CCC(C(=O)Oc3ccc(OCOC(=O)C=C)cc3)CC2)ccc1OCC1CCC(C(=O)Oc2ccc(OCOC(=O)C=C)cc2)CC1)c1nc2ccccc2s1.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(COc3cc(/C=N/N(CCOCCOC)c4nc5ccccc5s4)c(OCC4CCC(C(=O)Oc5ccc(OCOC(=O)C=C)cc5)CC4)cc3C)CC2)cc1.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(COc3ccc(OCC4CCC(C(=O)Oc5ccc(OCOC(=O)C=C)cc5)CC4)c(/C=N/N(CCOCCOC)c4nc5ccccc5s4)c3)CC2)cc1
InChIInChI=1S/C59H65N3O16S.C56H63N3O14S.C55H61N3O14S.C55H57N3O14S.24CH4/c1-4-54(63)70-34-33-69-32-31-68-30-29-62(59-61-51-9-7-8-10-53(51)79-59)60-36-45-35-50(71-37-41-11-15-43(16-12-41)57(66)77-48-23-19-46(20-24-48)73-39-75-55(64)5-2)27-28-52(45)72-38-42-13-17-44(18-14-42)58(67)78-49-25-21-47(22-26-49)74-40-76-56(65)6-3;1-5-52(60)70-36-68-44-19-23-46(24-20-44)72-54(62)41-15-11-39(12-16-41)34-66-49-32-43(33-57-59(27-28-65-30-29-64-4)56-58-48-9-7-8-10-51(48)74-56)50(31-38(49)3)67-35-40-13-17-42(18-14-40)55(63)73-47-25-21-45(22-26-47)69-37-71-53(61)6-2;1-4-51(59)69-36-67-43-18-22-45(23-19-43)71-53(61)40-14-10-38(11-15-40)34-65-47-26-27-49(42(32-47)33-56-58(28-29-64-31-30-63-3)55-57-48-8-6-7-9-50(48)73-55)66-35-39-12-16-41(17-13-39)54(62)72-46-24-20-44(21-25-46)68-37-70-52(60)5-2;1-4-50(59)64-30-29-58(55-57-47-9-7-8-10-49(47)73-55)56-32-41-31-46(65-33-37-11-15-39(16-12-37)53(62)71-44-23-19-42(20-24-44)67-35-69-51(60)5-2)27-28-48(41)66-34-38-13-17-40(18-14-38)54(63)72-45-25-21-43(22-26-45)68-36-70-52(61)6-3;;;;;;;;;;;;;;;;;;;;;;;;/h4-10,19-28,35-36,41-44H,1-3,11-18,29-34,37-40H2;5-10,19-26,31-33,39-42H,1-2,11-18,27-30,34-37H2,3-4H3;4-9,18-27,32-33,38-41H,1-2,10-17,28-31,34-37H2,3H3;4-10,19-28,31-32,37-40H,1-3,11-18,29-30,33-36H2;24*1H4/b60-36+;57-33+;56-33+;56-32+;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyGCIDFQBXAPZJLF-HTRQHHJCSA-N
XLogP53.79
TPSA790.42 Ų
H-Bond Donors
H-Bond Acceptors74
Rotatable Bonds110
Heavy Atoms323
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004559.77
LogP ≤ 553.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1074

Analyze methane;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[5-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-2-methyl-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(2-prop-2-enoyloxyethyl)hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[5-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-2-methyl-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(2-prop-2-enoyloxyethyl)hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate?
The IUPAC name of methane;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[5-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-2-methyl-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(2-prop-2-enoyloxyethyl)hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate (CID 172948891) is methane;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[5-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-2-methyl-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(2-prop-2-enoyloxyethyl)hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methane;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[5-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-2-methyl-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(2-prop-2-enoyloxyethyl)hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methane;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[5-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-2-methyl-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(2-prop-2-enoyloxyethyl)hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate 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=CC(=O)OCCN(/N=C/c1cc(OCC2CCC(C(=O)Oc3ccc(OCOC(=O)C=C)cc3)CC2)ccc1OCC1CCC(C(=O)Oc2ccc(OCOC(=O)C=C)cc2)CC1)c1nc2ccccc2s1.C=CC(=O)OCCOCCOCCN(/N=C/c1cc(OCC2CCC(C(=O)Oc3ccc(OCOC(=O)C=C)cc3)CC2)ccc1OCC1CCC(C(=O)Oc2ccc(OCOC(=O)C=C)cc2)CC1)c1nc2ccccc2s1.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(COc3cc(/C=N/N(CCOCCOC)c4nc5ccccc5s4)c(OCC4CCC(C(=O)Oc5ccc(OCOC(=O)C=C)cc5)CC4)cc3C)CC2)cc1.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(COc3ccc(OCC4CCC(C(=O)Oc5ccc(OCOC(=O)C=C)cc5)CC4)c(/C=N/N(CCOCCOC)c4nc5ccccc5s4)c3)CC2)cc1.
What is the InChIKey of methane;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[5-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-2-methyl-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(2-prop-2-enoyloxyethyl)hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate?
The InChIKey is GCIDFQBXAPZJLF-HTRQHHJCSA-N. The full InChI is InChI=1S/C59H65N3O16S.C56H63N3O14S.C55H61N3O14S.C55H57N3O14S.24CH4/c1-4-54(63)70-34-33-69-32-31-68-30-29-62(59-61-51-9-7-8-10-53(51)79-59)60-36-45-35-50(71-37-41-11-15-43(16-12-41)57(66)77-48-23-19-46(20-24-48)73-39-75-55(64)5-2)27-28-52(45)72-38-42-13-17-44(18-14-42)58(67)78-49-25-21-47(22-26-49)74-40-76-56(65)6-3;1-5-52(60)70-36-68-44-19-23-46(24-20-44)72-54(62)41-15-11-39(12-16-41)34-66-49-32-43(33-57-59(27-28-65-30-29-64-4)56-58-48-9-7-8-10-51(48)74-56)50(31-38(49)3)67-35-40-13-17-42(18-14-40)55(63)73-47-25-21-45(22-26-47)69-37-71-53(61)6-2;1-4-51(59)69-36-67-43-18-22-45(23-19-43)71-53(61)40-14-10-38(11-15-40)34-65-47-26-27-49(42(32-47)33-56-58(28-29-64-31-30-63-3)55-57-48-8-6-7-9-50(48)73-55)66-35-39-12-16-41(17-13-39)54(62)72-46-24-20-44(21-25-46)68-37-70-52(60)5-2;1-4-50(59)64-30-29-58(55-57-47-9-7-8-10-49(47)73-55)56-32-41-31-46(65-33-37-11-15-39(16-12-37)53(62)71-44-23-19-42(20-24-44)67-35-69-51(60)5-2)27-28-48(41)66-34-38-13-17-40(18-14-38)54(63)72-45-25-21-43(22-26-45)68-36-70-52(61)6-3;;;;;;;;;;;;;;;;;;;;;;;;/h4-10,19-28,35-36,41-44H,1-3,11-18,29-34,37-40H2;5-10,19-26,31-33,39-42H,1-2,11-18,27-30,34-37H2,3-4H3;4-9,18-27,32-33,38-41H,1-2,10-17,28-31,34-37H2,3H3;4-10,19-28,31-32,37-40H,1-3,11-18,29-30,33-36H2;24*1H4/b60-36+;57-33+;56-33+;56-32+;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of methane;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[5-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-2-methyl-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(2-prop-2-enoyloxyethyl)hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate?
methane;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[5-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-2-methyl-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(2-prop-2-enoyloxyethyl)hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate has a molecular weight of 4559.77 g/mol, XLogP of 53.79, 110 rotatable bonds, 0 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[5-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-2-methyl-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(2-prop-2-enoyloxyethyl)hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 172948891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).