[3-[(E)-[1,3-benzothiazol-2-yl(prop-2-enoyl)hydrazinylidene]methyl]-4-[3,4-bis(prop-2-enoyloxymethoxy)benzoyl]oxy-5-methylphenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-cyanophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(1,3-dioxoinden-2-ylidene)benzo[f][1,3]benzodithiol-9-yl] 1-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-nitrophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate

C231H205N7O81S5 — CID 172918170

IUPAC[3-[(E)-[1,3-benzothiazol-2-yl(prop-2-enoyl)hydrazinylidene]methyl]-4-[3,4-bis(prop-2-enoyloxymethoxy)benzoyl]oxy-5-methylphenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-cyanophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(1,3-dioxoinden-2-ylidene)benzo[f][1,3]benzodithiol-9-yl] 1-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-nitrophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate
SMILESC=CC(=O)OCOc1ccc(C(=O)Oc2cc(C)c(OC(=O)c3ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c3)c(/C=N/N(C(=O)C=C)c3nc4ccccc4s3)c2)cc1OCOC(=O)C=C.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(C(=O)OCCc3ccc(OC(=O)C4CCC(C(=O)Oc5ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c5)CC4)c4nc(-c5ccc(C#N)cc5)sc34)CC2)cc1OCOC(=O)C=C.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(C(=O)OCCc3ccc(OC(=O)C4CCC(C(=O)Oc5ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c5)CC4)c4nc(-c5ccc([N+](=O)[O-])cc5)sc34)CC2)cc1OCOC(=O)C=C.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(C(=O)Oc3c4c(c(OC(=O)C5CCC(C(=O)Oc6ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c6)CC5)c5ccccc35)SC(=C3C(=O)c5ccccc5C3=O)S4)CC2)cc1OCOC(=O)C=C
InChIInChI=1S/C64H54O22S2.C60H56N2O20S.C59H56N2O22S.C48H39N3O17S/c1-5-49(65)79-31-75-45-27-25-39(29-47(45)77-33-81-51(67)7-3)83-60(71)35-17-21-37(22-18-35)62(73)85-56-43-15-11-12-16-44(43)57(59-58(56)87-64(88-59)53-54(69)41-13-9-10-14-42(41)55(53)70)86-63(74)38-23-19-36(20-24-38)61(72)84-40-26-28-46(76-32-80-50(66)6-2)48(30-40)78-34-82-52(68)8-4;1-5-50(63)76-32-72-45-25-22-43(29-48(45)74-34-78-52(65)7-3)80-58(68)40-15-13-39(14-16-40)57(67)71-28-27-37-21-24-47(54-55(37)83-56(62-54)38-11-9-36(31-61)10-12-38)82-60(70)42-19-17-41(18-20-42)59(69)81-44-23-26-46(73-33-77-51(64)6-2)49(30-44)75-35-79-53(66)8-4;1-5-49(62)77-31-73-44-25-22-42(29-47(44)75-33-79-51(64)7-3)81-57(67)38-11-9-37(10-12-38)56(66)72-28-27-35-19-24-46(53-54(35)84-55(60-53)36-17-20-41(21-18-36)61(70)71)83-59(69)40-15-13-39(14-16-40)58(68)82-43-23-26-45(74-32-78-50(63)6-2)48(30-43)76-34-80-52(65)8-4;1-7-40(52)51(48-50-34-14-12-13-15-39(34)69-48)49-24-32-21-33(67-46(57)30-16-18-35(59-25-63-41(53)8-2)37(22-30)61-27-65-43(55)10-4)20-29(6)45(32)68-47(58)31-17-19-36(60-26-64-42(54)9-3)38(23-31)62-28-66-44(56)11-5/h5-16,25-30,35-38H,1-4,17-24,31-34H2;5-12,21-26,29-30,39-42H,1-4,13-20,27-28,32-35H2;5-8,17-26,29-30,37-40H,1-4,9-16,27-28,31-34H2;7-24H,1-5,25-28H2,6H3/b;;;49-24+
InChIKeyKDLLMNRBRMPPBH-SLWGIXOUSA-N
MW4535.48 g/mol
LogP34.94
Rot. Bonds103

About [3-[(E)-[1,3-benzothiazol-2-yl(prop-2-enoyl)hydrazinylidene]methyl]-4-[3,4-bis(prop-2-enoyloxymethoxy)benzoyl]oxy-5-methylphenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-cyanophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(1,3-dioxoinden-2-ylidene)benzo[f][1,3]benzodithiol-9-yl] 1-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-nitrophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate

[3-[(E)-[1,3-benzothiazol-2-yl(prop-2-enoyl)hydrazinylidene]methyl]-4-[3,4-bis(prop-2-enoyloxymethoxy)benzoyl]oxy-5-methylphenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-cyanophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(1,3-dioxoinden-2-ylidene)benzo[f][1,3]benzodithiol-9-yl] 1-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-nitrophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate (PubChem CID 172918170) has the molecular formula C231H205N7O81S5 and a molecular weight of 4535.48 g/mol. Its IUPAC name is [3-[(E)-[1,3-benzothiazol-2-yl(prop-2-enoyl)hydrazinylidene]methyl]-4-[3,4-bis(prop-2-enoyloxymethoxy)benzoyl]oxy-5-methylphenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-cyanophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(1,3-dioxoinden-2-ylidene)benzo[f][1,3]benzodithiol-9-yl] 1-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-nitrophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate.

Molecular Properties

Compound Name[3-[(E)-[1,3-benzothiazol-2-yl(prop-2-enoyl)hydrazinylidene]methyl]-4-[3,4-bis(prop-2-enoyloxymethoxy)benzoyl]oxy-5-methylphenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-cyanophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(1,3-dioxoinden-2-ylidene)benzo[f][1,3]benzodithiol-9-yl] 1-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-nitrophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate
PubChem CID172918170
Molecular FormulaC231H205N7O81S5
Molecular Weight4535.48 g/mol
Exact Mass4532.07
IUPAC Name[3-[(E)-[1,3-benzothiazol-2-yl(prop-2-enoyl)hydrazinylidene]methyl]-4-[3,4-bis(prop-2-enoyloxymethoxy)benzoyl]oxy-5-methylphenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-cyanophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(1,3-dioxoinden-2-ylidene)benzo[f][1,3]benzodithiol-9-yl] 1-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-nitrophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate
SMILESC=CC(=O)OCOc1ccc(C(=O)Oc2cc(C)c(OC(=O)c3ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c3)c(/C=N/N(C(=O)C=C)c3nc4ccccc4s3)c2)cc1OCOC(=O)C=C.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(C(=O)OCCc3ccc(OC(=O)C4CCC(C(=O)Oc5ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c5)CC4)c4nc(-c5ccc(C#N)cc5)sc34)CC2)cc1OCOC(=O)C=C.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(C(=O)OCCc3ccc(OC(=O)C4CCC(C(=O)Oc5ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c5)CC4)c4nc(-c5ccc([N+](=O)[O-])cc5)sc34)CC2)cc1OCOC(=O)C=C.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(C(=O)Oc3c4c(c(OC(=O)C5CCC(C(=O)Oc6ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c6)CC5)c5ccccc35)SC(=C3C(=O)c5ccccc5C3=O)S4)CC2)cc1OCOC(=O)C=C
InChIInChI=1S/C64H54O22S2.C60H56N2O20S.C59H56N2O22S.C48H39N3O17S/c1-5-49(65)79-31-75-45-27-25-39(29-47(45)77-33-81-51(67)7-3)83-60(71)35-17-21-37(22-18-35)62(73)85-56-43-15-11-12-16-44(43)57(59-58(56)87-64(88-59)53-54(69)41-13-9-10-14-42(41)55(53)70)86-63(74)38-23-19-36(20-24-38)61(72)84-40-26-28-46(76-32-80-50(66)6-2)48(30-40)78-34-82-52(68)8-4;1-5-50(63)76-32-72-45-25-22-43(29-48(45)74-34-78-52(65)7-3)80-58(68)40-15-13-39(14-16-40)57(67)71-28-27-37-21-24-47(54-55(37)83-56(62-54)38-11-9-36(31-61)10-12-38)82-60(70)42-19-17-41(18-20-42)59(69)81-44-23-26-46(73-33-77-51(64)6-2)49(30-44)75-35-79-53(66)8-4;1-5-49(62)77-31-73-44-25-22-42(29-47(44)75-33-79-51(64)7-3)81-57(67)38-11-9-37(10-12-38)56(66)72-28-27-35-19-24-46(53-54(35)84-55(60-53)36-17-20-41(21-18-36)61(70)71)83-59(69)40-15-13-39(14-16-40)58(68)82-43-23-26-45(74-32-78-50(63)6-2)48(30-43)76-34-80-52(65)8-4;1-7-40(52)51(48-50-34-14-12-13-15-39(34)69-48)49-24-32-21-33(67-46(57)30-16-18-35(59-25-63-41(53)8-2)37(22-30)61-27-65-43(55)10-4)20-29(6)45(32)68-47(58)31-17-19-36(60-26-64-42(54)9-3)38(23-31)62-28-66-44(56)11-5/h5-16,25-30,35-38H,1-4,17-24,31-34H2;5-12,21-26,29-30,39-42H,1-4,13-20,27-28,32-35H2;5-8,17-26,29-30,37-40H,1-4,9-16,27-28,31-34H2;7-24H,1-5,25-28H2,6H3/b;;;49-24+
InChIKeyKDLLMNRBRMPPBH-SLWGIXOUSA-N
XLogP34.94
TPSA1109.09 Ų
H-Bond Donors
H-Bond Acceptors91
Rotatable Bonds103
Heavy Atoms324
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004535.48
LogP ≤ 534.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1091

Analyze [3-[(E)-[1,3-benzothiazol-2-yl(prop-2-enoyl)hydrazinylidene]methyl]-4-[3,4-bis(prop-2-enoyloxymethoxy)benzoyl]oxy-5-methylphenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-cyanophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(1,3-dioxoinden-2-ylidene)benzo[f][1,3]benzodithiol-9-yl] 1-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-nitrophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate with MolForge

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Related Compounds

[2-[(E)-[1,3-benzothiazol-2-yl(prop-2-enoyl)hydrazinylidene]methyl]-6-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;bis(prop-2-enoyloxymethyl) 4-[4-[[2-(4-nitrophenyl)-4-[4-[4-(oxiran-2-ylmethoxymethoxycarbonyl)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]oxycarbonyl]cyclohexanecarbonyl]oxybenzene-1,2-dicarboxylate;[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 3,4-bis[(3-methyloxetan-3-yl)methoxymethoxy]benzoate
CID 172936137
[3-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxycarbonyloxy)benzoate;1-O-[2-[2-(4-cyanophenyl)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;methane
CID 172973238
4a,4b,8a,9a-tetrahydrofluoren-9-imine;4-aminobenzonitrile;bis(1-O-[2-[2-amino-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate);1-O-[2-[2-(1,3-dioxoinden-2-ylidene)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxybenzo[f][1,3]benzodithiol-9-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;methane;2-[3-methanimidoyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;4-nitroaniline
CID 162039842
1-O-[2-[2-(4-cyanophenyl)-4-[4-[4-[2,3-di(prop-2-enoyloxy)propoxy]phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-(1,3-dioxoinden-2-yl)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxybenzo[f][1,3]benzodithiol-9-yl] 1-O-[4-[2,3-di(prop-2-enoyloxy)propoxy]phenyl] cyclohexane-1,4-dicarboxylate;[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate;methane
CID 172986512
[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxycarbonyloxy)benzoate;[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;4-O-[2-(4-nitrophenyl)-7-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-4-yl] 1-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 172924141
4-O-(4-hydroxyphenyl) 1-O-[2-[2-(4-nitrophenyl)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] cyclohexane-1,4-dicarboxylate
CID 122419870
[2-(4-cyanophenyl)-7-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-1,3-benzothiazol-4-yl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate;4-O-[7-[4-[4-[2,3-di(prop-2-enoyloxy)propoxy]phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-nitrophenyl)-1,3-benzothiazol-4-yl] 1-O-[4-(oxiran-2-ylmethoxymethoxycarbonyl)phenyl] cyclohexane-1,4-dicarboxylate;[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate
CID 172928815
[2-(4-cyanophenyl)-7-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-1,3-benzothiazol-4-yl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[2-[(E)-2-(4-methylphenyl)ethenyl]-7-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-1,3-benzothiazol-4-yl] 4-(prop-2-enoyloxymethoxy)benzoate;4-O-[2-(4-nitrophenyl)-7-[4-[4-(prop-2-enoyloxymethoxycarbonyl)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-4-yl] 1-O-[4-(prop-2-enoyloxymethoxycarbonyl)phenyl] cyclohexane-1,4-dicarboxylate
CID 172952126
[3-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxycarbonyloxy)benzoate;[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;4-O-[2-(4-nitrophenyl)-7-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-4-yl] 1-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 172940867
[2-[(E)-[1,3-benzothiazol-2-yl(prop-2-enoyl)hydrazinylidene]methyl]-6-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 3-(2-oxobut-3-enoxymethoxy)-5-(prop-2-enoyloxymethoxy)benzoate
CID 134453355
[3-[(E)-[1,3-benzothiazol-2-yl(prop-2-enoyl)hydrazinylidene]methyl]-4-[3,4-bis(prop-2-enoyloxymethoxy)benzoyl]oxy-5-methylphenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[3-[(3-methyloxetan-3-yl)methoxymethoxy]-4-[(3-methyloxetan-3-yl)oxymethoxy]benzoyl]oxyphenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;methane
CID 172937152
[2-[(E)-(9,9a-dihydro-4aH-fluoren-9-ylhydrazinylidene)methyl]-4-[2-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]phenyl] 4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoate;1-O-[2-[2-[(4-cyanophenyl)diazenyl]-4-[4-[4-[2,3-di(prop-2-enoyloxy)propoxy]phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;1-O-[2-[4-[4-[4-[2,3-di(prop-2-enoyloxy)propoxy]phenoxy]carbonylcyclohexanecarbonyl]oxy-2-[(4-nitrophenyl)diazenyl]-1,3-benzothiazol-7-yl]ethyl] 4-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;methane
CID 172972541

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-[1,3-benzothiazol-2-yl(prop-2-enoyl)hydrazinylidene]methyl]-4-[3,4-bis(prop-2-enoyloxymethoxy)benzoyl]oxy-5-methylphenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-cyanophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(1,3-dioxoinden-2-ylidene)benzo[f][1,3]benzodithiol-9-yl] 1-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-nitrophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate?
The IUPAC name of [3-[(E)-[1,3-benzothiazol-2-yl(prop-2-enoyl)hydrazinylidene]methyl]-4-[3,4-bis(prop-2-enoyloxymethoxy)benzoyl]oxy-5-methylphenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-cyanophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(1,3-dioxoinden-2-ylidene)benzo[f][1,3]benzodithiol-9-yl] 1-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-nitrophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate (CID 172918170) is [3-[(E)-[1,3-benzothiazol-2-yl(prop-2-enoyl)hydrazinylidene]methyl]-4-[3,4-bis(prop-2-enoyloxymethoxy)benzoyl]oxy-5-methylphenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-cyanophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(1,3-dioxoinden-2-ylidene)benzo[f][1,3]benzodithiol-9-yl] 1-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-nitrophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate.
What is the SMILES notation for [3-[(E)-[1,3-benzothiazol-2-yl(prop-2-enoyl)hydrazinylidene]methyl]-4-[3,4-bis(prop-2-enoyloxymethoxy)benzoyl]oxy-5-methylphenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-cyanophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(1,3-dioxoinden-2-ylidene)benzo[f][1,3]benzodithiol-9-yl] 1-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-nitrophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate?
The canonical SMILES for [3-[(E)-[1,3-benzothiazol-2-yl(prop-2-enoyl)hydrazinylidene]methyl]-4-[3,4-bis(prop-2-enoyloxymethoxy)benzoyl]oxy-5-methylphenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-cyanophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(1,3-dioxoinden-2-ylidene)benzo[f][1,3]benzodithiol-9-yl] 1-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-nitrophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate is C=CC(=O)OCOc1ccc(C(=O)Oc2cc(C)c(OC(=O)c3ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c3)c(/C=N/N(C(=O)C=C)c3nc4ccccc4s3)c2)cc1OCOC(=O)C=C.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(C(=O)OCCc3ccc(OC(=O)C4CCC(C(=O)Oc5ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c5)CC4)c4nc(-c5ccc(C#N)cc5)sc34)CC2)cc1OCOC(=O)C=C.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(C(=O)OCCc3ccc(OC(=O)C4CCC(C(=O)Oc5ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c5)CC4)c4nc(-c5ccc([N+](=O)[O-])cc5)sc34)CC2)cc1OCOC(=O)C=C.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(C(=O)Oc3c4c(c(OC(=O)C5CCC(C(=O)Oc6ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c6)CC5)c5ccccc35)SC(=C3C(=O)c5ccccc5C3=O)S4)CC2)cc1OCOC(=O)C=C.
What is the InChIKey of [3-[(E)-[1,3-benzothiazol-2-yl(prop-2-enoyl)hydrazinylidene]methyl]-4-[3,4-bis(prop-2-enoyloxymethoxy)benzoyl]oxy-5-methylphenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-cyanophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(1,3-dioxoinden-2-ylidene)benzo[f][1,3]benzodithiol-9-yl] 1-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-nitrophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate?
The InChIKey is KDLLMNRBRMPPBH-SLWGIXOUSA-N. The full InChI is InChI=1S/C64H54O22S2.C60H56N2O20S.C59H56N2O22S.C48H39N3O17S/c1-5-49(65)79-31-75-45-27-25-39(29-47(45)77-33-81-51(67)7-3)83-60(71)35-17-21-37(22-18-35)62(73)85-56-43-15-11-12-16-44(43)57(59-58(56)87-64(88-59)53-54(69)41-13-9-10-14-42(41)55(53)70)86-63(74)38-23-19-36(20-24-38)61(72)84-40-26-28-46(76-32-80-50(66)6-2)48(30-40)78-34-82-52(68)8-4;1-5-50(63)76-32-72-45-25-22-43(29-48(45)74-34-78-52(65)7-3)80-58(68)40-15-13-39(14-16-40)57(67)71-28-27-37-21-24-47(54-55(37)83-56(62-54)38-11-9-36(31-61)10-12-38)82-60(70)42-19-17-41(18-20-42)59(69)81-44-23-26-46(73-33-77-51(64)6-2)49(30-44)75-35-79-53(66)8-4;1-5-49(62)77-31-73-44-25-22-42(29-47(44)75-33-79-51(64)7-3)81-57(67)38-11-9-37(10-12-38)56(66)72-28-27-35-19-24-46(53-54(35)84-55(60-53)36-17-20-41(21-18-36)61(70)71)83-59(69)40-15-13-39(14-16-40)58(68)82-43-23-26-45(74-32-78-50(63)6-2)48(30-43)76-34-80-52(65)8-4;1-7-40(52)51(48-50-34-14-12-13-15-39(34)69-48)49-24-32-21-33(67-46(57)30-16-18-35(59-25-63-41(53)8-2)37(22-30)61-27-65-43(55)10-4)20-29(6)45(32)68-47(58)31-17-19-36(60-26-64-42(54)9-3)38(23-31)62-28-66-44(56)11-5/h5-16,25-30,35-38H,1-4,17-24,31-34H2;5-12,21-26,29-30,39-42H,1-4,13-20,27-28,32-35H2;5-8,17-26,29-30,37-40H,1-4,9-16,27-28,31-34H2;7-24H,1-5,25-28H2,6H3/b;;;49-24+.
What are the key properties of [3-[(E)-[1,3-benzothiazol-2-yl(prop-2-enoyl)hydrazinylidene]methyl]-4-[3,4-bis(prop-2-enoyloxymethoxy)benzoyl]oxy-5-methylphenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-cyanophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(1,3-dioxoinden-2-ylidene)benzo[f][1,3]benzodithiol-9-yl] 1-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-nitrophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate?
[3-[(E)-[1,3-benzothiazol-2-yl(prop-2-enoyl)hydrazinylidene]methyl]-4-[3,4-bis(prop-2-enoyloxymethoxy)benzoyl]oxy-5-methylphenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-cyanophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(1,3-dioxoinden-2-ylidene)benzo[f][1,3]benzodithiol-9-yl] 1-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-nitrophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate has a molecular weight of 4535.48 g/mol, XLogP of 34.94, 103 rotatable bonds, 0 hydrogen bond donors, and 91 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-[1,3-benzothiazol-2-yl(prop-2-enoyl)hydrazinylidene]methyl]-4-[3,4-bis(prop-2-enoyloxymethoxy)benzoyl]oxy-5-methylphenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-cyanophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(1,3-dioxoinden-2-ylidene)benzo[f][1,3]benzodithiol-9-yl] 1-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate;1-O-[2-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(4-nitrophenyl)-1,3-benzothiazol-7-yl]ethyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate is sourced from PubChem (CID 172918170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).