4-O-[3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(pentyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane

C253H332N12O64S4 — CID 172949627

IUPAC4-O-[3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(pentyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane
SMILESC.C.C.C=CC(=O)OCCCCOC(=O)C1CCC(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)OC5CCC(C(=O)OCCCCOC(=O)C=C)CC5)CC4)c(/C=N/N(CCC)c4nc5ccccc5s4)c3)CC2)CC1.C=CC(=O)OCCCCOC(=O)C1CCC(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)OC5CCC(C(=O)OCCCCOC(=O)C=C)CC5)CC4)c(/C=N/N(CCCC)c4nc5ccccc5s4)c3)CC2)CC1.C=CC(=O)OCCCCOC(=O)C1CCC(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)OC5CCC(C(=O)OCCCCOC(=O)C=C)CC5)CC4)c(/C=N/N(CCCCC)c4nc5ccccc5s4)c3)CC2)CC1.C=CC(=O)OCCCCOC(=O)C1CCC(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)OC5CCC(C(=O)OCCCCOC(=O)C=C)CC5)CC4)c(/C=N/N(CCCCCC)c4nc5ccccc5s4)c3)CC2)CC1
InChIInChI=1S/C64H83N3O16S.C63H81N3O16S.C62H79N3O16S.C61H77N3O16S.3CH4/c1-4-7-8-11-36-67(64-66-53-16-9-10-17-55(53)84-64)65-42-49-41-52(82-62(74)47-20-18-45(19-21-47)60(72)80-50-30-26-43(27-31-50)58(70)78-39-14-12-37-76-56(68)5-2)34-35-54(49)83-63(75)48-24-22-46(23-25-48)61(73)81-51-32-28-44(29-33-51)59(71)79-40-15-13-38-77-57(69)6-3;1-4-7-10-35-66(63-65-52-15-8-9-16-54(52)83-63)64-41-48-40-51(81-61(73)46-19-17-44(18-20-46)59(71)79-49-29-25-42(26-30-49)57(69)77-38-13-11-36-75-55(67)5-2)33-34-53(48)82-62(74)47-23-21-45(22-24-47)60(72)80-50-31-27-43(28-32-50)58(70)78-39-14-12-37-76-56(68)6-3;1-4-7-34-65(62-64-51-14-8-9-15-53(51)82-62)63-40-47-39-50(80-60(72)45-18-16-43(17-19-45)58(70)78-48-28-24-41(25-29-48)56(68)76-37-12-10-35-74-54(66)5-2)32-33-52(47)81-61(73)46-22-20-44(21-23-46)59(71)79-49-30-26-42(27-31-49)57(69)77-38-13-11-36-75-55(67)6-3;1-4-33-64(61-63-50-13-7-8-14-52(50)81-61)62-39-46-38-49(79-59(71)44-17-15-42(16-18-44)57(69)77-47-27-23-40(24-28-47)55(67)75-36-11-9-34-73-53(65)5-2)31-32-51(46)80-60(72)45-21-19-43(20-22-45)58(70)78-48-29-25-41(26-30-48)56(68)76-37-12-10-35-74-54(66)6-3;;;/h5-6,9-10,16-17,34-35,41-48,50-51H,2-4,7-8,11-15,18-33,36-40H2,1H3;5-6,8-9,15-16,33-34,40-47,49-50H,2-4,7,10-14,17-32,35-39H2,1H3;5-6,8-9,14-15,32-33,39-46,48-49H,2-4,7,10-13,16-31,34-38H2,1H3;5-8,13-14,31-32,38-45,47-48H,2-4,9-12,15-30,33-37H2,1H3;3*1H4/b65-42+;64-41+;63-40+;62-39+;;;
InChIKeyYIKWHKVRRDYOKA-DJLLAEKXSA-N
MW4693.73 g/mol
LogP45.37
Rot. Bonds114

About 4-O-[3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(pentyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane

4-O-[3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(pentyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane (PubChem CID 172949627) has the molecular formula C253H332N12O64S4 and a molecular weight of 4693.73 g/mol. Its IUPAC name is 4-O-[3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(pentyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane.

Molecular Properties

Compound Name4-O-[3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(pentyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane
PubChem CID172949627
Molecular FormulaC253H332N12O64S4
Molecular Weight4693.73 g/mol
Exact Mass4690.20
IUPAC Name4-O-[3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(pentyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane
SMILESC.C.C.C=CC(=O)OCCCCOC(=O)C1CCC(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)OC5CCC(C(=O)OCCCCOC(=O)C=C)CC5)CC4)c(/C=N/N(CCC)c4nc5ccccc5s4)c3)CC2)CC1.C=CC(=O)OCCCCOC(=O)C1CCC(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)OC5CCC(C(=O)OCCCCOC(=O)C=C)CC5)CC4)c(/C=N/N(CCCC)c4nc5ccccc5s4)c3)CC2)CC1.C=CC(=O)OCCCCOC(=O)C1CCC(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)OC5CCC(C(=O)OCCCCOC(=O)C=C)CC5)CC4)c(/C=N/N(CCCCC)c4nc5ccccc5s4)c3)CC2)CC1.C=CC(=O)OCCCCOC(=O)C1CCC(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)OC5CCC(C(=O)OCCCCOC(=O)C=C)CC5)CC4)c(/C=N/N(CCCCCC)c4nc5ccccc5s4)c3)CC2)CC1
InChIInChI=1S/C64H83N3O16S.C63H81N3O16S.C62H79N3O16S.C61H77N3O16S.3CH4/c1-4-7-8-11-36-67(64-66-53-16-9-10-17-55(53)84-64)65-42-49-41-52(82-62(74)47-20-18-45(19-21-47)60(72)80-50-30-26-43(27-31-50)58(70)78-39-14-12-37-76-56(68)5-2)34-35-54(49)83-63(75)48-24-22-46(23-25-48)61(73)81-51-32-28-44(29-33-51)59(71)79-40-15-13-38-77-57(69)6-3;1-4-7-10-35-66(63-65-52-15-8-9-16-54(52)83-63)64-41-48-40-51(81-61(73)46-19-17-44(18-20-46)59(71)79-49-29-25-42(26-30-49)57(69)77-38-13-11-36-75-55(67)5-2)33-34-53(48)82-62(74)47-23-21-45(22-24-47)60(72)80-50-31-27-43(28-32-50)58(70)78-39-14-12-37-76-56(68)6-3;1-4-7-34-65(62-64-51-14-8-9-15-53(51)82-62)63-40-47-39-50(80-60(72)45-18-16-43(17-19-45)58(70)78-48-28-24-41(25-29-48)56(68)76-37-12-10-35-74-54(66)5-2)32-33-52(47)81-61(73)46-22-20-44(21-23-46)59(71)79-49-30-26-42(27-31-49)57(69)77-38-13-11-36-75-55(67)6-3;1-4-33-64(61-63-50-13-7-8-14-52(50)81-61)62-39-46-38-49(79-59(71)44-17-15-42(16-18-44)57(69)77-47-27-23-40(24-28-47)55(67)75-36-11-9-34-73-53(65)5-2)31-32-51(46)80-60(72)45-21-19-43(20-22-45)58(70)78-48-29-25-41(26-30-48)56(68)76-37-12-10-35-74-54(66)6-3;;;/h5-6,9-10,16-17,34-35,41-48,50-51H,2-4,7-8,11-15,18-33,36-40H2,1H3;5-6,8-9,15-16,33-34,40-47,49-50H,2-4,7,10-14,17-32,35-39H2,1H3;5-6,8-9,14-15,32-33,39-46,48-49H,2-4,7,10-13,16-31,34-38H2,1H3;5-8,13-14,31-32,38-45,47-48H,2-4,9-12,15-30,33-37H2,1H3;3*1H4/b65-42+;64-41+;63-40+;62-39+;;;
InChIKeyYIKWHKVRRDYOKA-DJLLAEKXSA-N
XLogP45.37
TPSA955.56 Ų
H-Bond Donors
H-Bond Acceptors80
Rotatable Bonds114
Heavy Atoms333
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004693.73
LogP ≤ 545.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1080

Analyze 4-O-[3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(pentyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane with MolForge

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Related Compounds

4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate
CID 130417180
4-O-[3-[(E)-[1,3-benzothiazol-2-yl(6-prop-2-enoyloxyhexyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate
CID 139537963
4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(12-prop-2-enoyloxydodecoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(12-prop-2-enoyloxydodecoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 118187889
4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[6-(2-methylprop-2-enoyloxy)hexyl]hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate
CID 139538009
4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[4-(2-methylprop-2-enoyloxy)butyl]hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate
CID 139538005
4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]naphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 168734528
4-O-[3-[[1,3-benzothiazol-2-yl(2-phenoxyethyl)hydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 123723722
[2-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 165160122
4-O-[3-[(E)-[hexyl([1,3]thiazolo[5,4-b]pyridin-2-yl)hydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 118187858
4-O-[2-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonyl]cyclohexyl]cyclohexanecarbonyl]oxyphenyl] 1-O-[2-(2-prop-2-enoyloxyethoxy)ethyl] cyclohexane-1,4-dicarboxylate;4-O-[2-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxyphenyl] 1-O-(4-prop-2-enoyloxybutyl) cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[4-[4-(3-prop-2-enoyloxypropoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(3-prop-2-enoyloxypropoxy)phenyl] cyclohexane-1,4-dicarboxylate;[4-(4-prop-2-enoyloxybutoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(4-prop-2-enoyloxybutoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate
CID 172944882
4-O-[3-[(E)-[1,3-benzothiazol-2-yl(2-prop-2-enoyloxyethyl)hydrazinylidene]methyl]-4-[4-(4-methylphenoxy)carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;6-methoxyhexyl prop-2-enoate
CID 172945894
4-O-[3-[[1,3-benzothiazol-2-yl(2-methylpropyl)hydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 123765410

Frequently Asked Questions

What is the IUPAC name of 4-O-[3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(pentyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane?
The IUPAC name of 4-O-[3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(pentyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane (CID 172949627) is 4-O-[3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(pentyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane.
What is the SMILES notation for 4-O-[3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(pentyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane?
The canonical SMILES for 4-O-[3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(pentyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane is C.C.C.C=CC(=O)OCCCCOC(=O)C1CCC(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)OC5CCC(C(=O)OCCCCOC(=O)C=C)CC5)CC4)c(/C=N/N(CCC)c4nc5ccccc5s4)c3)CC2)CC1.C=CC(=O)OCCCCOC(=O)C1CCC(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)OC5CCC(C(=O)OCCCCOC(=O)C=C)CC5)CC4)c(/C=N/N(CCCC)c4nc5ccccc5s4)c3)CC2)CC1.C=CC(=O)OCCCCOC(=O)C1CCC(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)OC5CCC(C(=O)OCCCCOC(=O)C=C)CC5)CC4)c(/C=N/N(CCCCC)c4nc5ccccc5s4)c3)CC2)CC1.C=CC(=O)OCCCCOC(=O)C1CCC(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)OC5CCC(C(=O)OCCCCOC(=O)C=C)CC5)CC4)c(/C=N/N(CCCCCC)c4nc5ccccc5s4)c3)CC2)CC1.
What is the InChIKey of 4-O-[3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(pentyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane?
The InChIKey is YIKWHKVRRDYOKA-DJLLAEKXSA-N. The full InChI is InChI=1S/C64H83N3O16S.C63H81N3O16S.C62H79N3O16S.C61H77N3O16S.3CH4/c1-4-7-8-11-36-67(64-66-53-16-9-10-17-55(53)84-64)65-42-49-41-52(82-62(74)47-20-18-45(19-21-47)60(72)80-50-30-26-43(27-31-50)58(70)78-39-14-12-37-76-56(68)5-2)34-35-54(49)83-63(75)48-24-22-46(23-25-48)61(73)81-51-32-28-44(29-33-51)59(71)79-40-15-13-38-77-57(69)6-3;1-4-7-10-35-66(63-65-52-15-8-9-16-54(52)83-63)64-41-48-40-51(81-61(73)46-19-17-44(18-20-46)59(71)79-49-29-25-42(26-30-49)57(69)77-38-13-11-36-75-55(67)5-2)33-34-53(48)82-62(74)47-23-21-45(22-24-47)60(72)80-50-31-27-43(28-32-50)58(70)78-39-14-12-37-76-56(68)6-3;1-4-7-34-65(62-64-51-14-8-9-15-53(51)82-62)63-40-47-39-50(80-60(72)45-18-16-43(17-19-45)58(70)78-48-28-24-41(25-29-48)56(68)76-37-12-10-35-74-54(66)5-2)32-33-52(47)81-61(73)46-22-20-44(21-23-46)59(71)79-49-30-26-42(27-31-49)57(69)77-38-13-11-36-75-55(67)6-3;1-4-33-64(61-63-50-13-7-8-14-52(50)81-61)62-39-46-38-49(79-59(71)44-17-15-42(16-18-44)57(69)77-47-27-23-40(24-28-47)55(67)75-36-11-9-34-73-53(65)5-2)31-32-51(46)80-60(72)45-21-19-43(20-22-45)58(70)78-48-29-25-41(26-30-48)56(68)76-37-12-10-35-74-54(66)6-3;;;/h5-6,9-10,16-17,34-35,41-48,50-51H,2-4,7-8,11-15,18-33,36-40H2,1H3;5-6,8-9,15-16,33-34,40-47,49-50H,2-4,7,10-14,17-32,35-39H2,1H3;5-6,8-9,14-15,32-33,39-46,48-49H,2-4,7,10-13,16-31,34-38H2,1H3;5-8,13-14,31-32,38-45,47-48H,2-4,9-12,15-30,33-37H2,1H3;3*1H4/b65-42+;64-41+;63-40+;62-39+;;;.
What are the key properties of 4-O-[3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(pentyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane?
4-O-[3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(pentyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane has a molecular weight of 4693.73 g/mol, XLogP of 45.37, 114 rotatable bonds, 0 hydrogen bond donors, and 80 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(pentyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane is sourced from PubChem (CID 172949627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).