[2-(1,3-benzothiazol-2-yl)-4-(4-butylcyclohexanecarbonyl)oxy-5-nitrophenyl] 4-butylcyclohexane-1-carboxylate;4-O-[3-(1,3-benzothiazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-(1,3-benzothiazol-2-yl)-4-(4-methylcyclohexanecarbonyl)oxyphenyl] 1-O-ethyl cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl] cyclohexane-1,4-dicarboxylate;1-O-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl] 4-O-[4-[4-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxy-3-(1-methylbenzimidazol-2-yl)phenyl] cyclohexane-1,4-dicarboxylate

C315H390N8O62S3 — CID 157203974

IUPAC[2-(1,3-benzothiazol-2-yl)-4-(4-butylcyclohexanecarbonyl)oxy-5-nitrophenyl] 4-butylcyclohexane-1-carboxylate;4-O-[3-(1,3-benzothiazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-(1,3-benzothiazol-2-yl)-4-(4-methylcyclohexanecarbonyl)oxyphenyl] 1-O-ethyl cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl] cyclohexane-1,4-dicarboxylate;1-O-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl] 4-O-[4-[4-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxy-3-(1-methylbenzimidazol-2-yl)phenyl] cyclohexane-1,4-dicarboxylate
SMILESCCC1CCC(C(=O)OC2CCC(OC(=O)C3CCC(C(=O)Oc4ccc(OC(=O)C5CCC(C(=O)OC6CCC(OC(=O)C7CCC(CC)CC7)CC6)CC5)c(-c5nc6ccccc6o5)c4)CC3)CC2)CC1.CCCCC1CCC(C(=O)Oc2cc([N+](=O)[O-])c(OC(=O)C3CCC(CCCC)CC3)cc2-c2nc3ccccc3s2)CC1.CCCCC1CCC(C(=O)Oc2ccc(OC(=O)C3CCC(C(=O)Oc4ccc(OC(=O)C5CCC(C(=O)Oc6ccc(OC(=O)C7CCC(CCCC)CC7)cc6)CC5)c(-c5nc6ccccc6o5)c4)CC3)cc2)CC1.CCCCC1CCC(C(=O)Oc2ccc(OC(=O)C3CCC(C(=O)Oc4ccc(OC(=O)C5CCC(C(=O)Oc6ccc(OC(=O)C7CCC(CCCC)CC7)cc6)CC5)c(-c5nc6ccccc6s5)c4)CC3)cc2)CC1.CCOC(=O)C1CCC(C(=O)Oc2ccc(OC(=O)C3CCC(C)CC3)cc2-c2nc3ccccc3s2)CC1.Cn1c(-c2cc(OC(=O)C3CCC(C(=O)OC4CCC(OC(=O)C5CCC(C(C)(C)C)CC5)CC4)CC3)ccc2OC(=O)C2CCC(C(=O)OC3CCC(OC(=O)C4CCC(C(C)(C)C)CC4)CC3)CC2)nc2ccccc21
InChIInChI=1S/C64H88N2O12.C63H73NO13.C63H73NO12S.C59H77NO13.C35H44N2O6S.C31H35NO6S/c1-63(2,3)45-24-20-43(21-25-45)59(69)75-49-32-28-47(29-33-49)73-57(67)39-12-14-41(15-13-39)61(71)77-51-36-37-55(52(38-51)56-65-53-10-8-9-11-54(53)66(56)7)78-62(72)42-18-16-40(17-19-42)58(68)74-48-30-34-50(35-31-48)76-60(70)44-22-26-46(27-23-44)64(4,5)6;1-3-5-9-40-13-17-42(18-14-40)58(65)71-48-29-33-50(34-30-48)73-60(67)44-21-23-46(24-22-44)62(69)75-52-37-38-55(53(39-52)57-64-54-11-7-8-12-56(54)76-57)77-63(70)47-27-25-45(26-28-47)61(68)74-51-35-31-49(32-36-51)72-59(66)43-19-15-41(16-20-43)10-6-4-2;1-3-5-9-40-13-17-42(18-14-40)58(65)71-48-29-33-50(34-30-48)73-60(67)44-21-23-46(24-22-44)62(69)75-52-37-38-55(53(39-52)57-64-54-11-7-8-12-56(54)77-57)76-63(70)47-27-25-45(26-28-47)61(68)74-51-35-31-49(32-36-51)72-59(66)43-19-15-41(16-20-43)10-6-4-2;1-3-36-9-13-38(14-10-36)54(61)67-44-25-29-46(30-26-44)69-56(63)40-17-19-42(20-18-40)58(65)71-48-33-34-51(49(35-48)53-60-50-7-5-6-8-52(50)72-53)73-59(66)43-23-21-41(22-24-43)57(64)70-47-31-27-45(28-32-47)68-55(62)39-15-11-37(4-2)12-16-39;1-3-5-9-23-13-17-25(18-14-23)34(38)42-30-22-29(37(40)41)31(21-27(30)33-36-28-11-7-8-12-32(28)44-33)43-35(39)26-19-15-24(16-20-26)10-6-4-2;1-3-36-29(33)20-12-14-22(15-13-20)31(35)38-26-17-16-23(37-30(34)21-10-8-19(2)9-11-21)18-24(26)28-32-25-6-4-5-7-27(25)39-28/h8-11,36-50H,12-35H2,1-7H3;2*7-8,11-12,29-47H,3-6,9-10,13-28H2,1-2H3;5-8,33-47H,3-4,9-32H2,1-2H3;7-8,11-12,21-26H,3-6,9-10,13-20H2,1-2H3;4-7,16-22H,3,8-15H2,1-2H3
InChIKeyARCZRKQNTJNSEW-UHFFFAOYSA-N
MW5376.78 g/mol
LogP70.29
Rot. Bonds85

About [2-(1,3-benzothiazol-2-yl)-4-(4-butylcyclohexanecarbonyl)oxy-5-nitrophenyl] 4-butylcyclohexane-1-carboxylate;4-O-[3-(1,3-benzothiazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-(1,3-benzothiazol-2-yl)-4-(4-methylcyclohexanecarbonyl)oxyphenyl] 1-O-ethyl cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl] cyclohexane-1,4-dicarboxylate;1-O-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl] 4-O-[4-[4-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxy-3-(1-methylbenzimidazol-2-yl)phenyl] cyclohexane-1,4-dicarboxylate

[2-(1,3-benzothiazol-2-yl)-4-(4-butylcyclohexanecarbonyl)oxy-5-nitrophenyl] 4-butylcyclohexane-1-carboxylate;4-O-[3-(1,3-benzothiazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-(1,3-benzothiazol-2-yl)-4-(4-methylcyclohexanecarbonyl)oxyphenyl] 1-O-ethyl cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl] cyclohexane-1,4-dicarboxylate;1-O-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl] 4-O-[4-[4-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxy-3-(1-methylbenzimidazol-2-yl)phenyl] cyclohexane-1,4-dicarboxylate (PubChem CID 157203974) has the molecular formula C315H390N8O62S3 and a molecular weight of 5376.78 g/mol. Its IUPAC name is [2-(1,3-benzothiazol-2-yl)-4-(4-butylcyclohexanecarbonyl)oxy-5-nitrophenyl] 4-butylcyclohexane-1-carboxylate;4-O-[3-(1,3-benzothiazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-(1,3-benzothiazol-2-yl)-4-(4-methylcyclohexanecarbonyl)oxyphenyl] 1-O-ethyl cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl] cyclohexane-1,4-dicarboxylate;1-O-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl] 4-O-[4-[4-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxy-3-(1-methylbenzimidazol-2-yl)phenyl] cyclohexane-1,4-dicarboxylate.

Molecular Properties

Compound Name[2-(1,3-benzothiazol-2-yl)-4-(4-butylcyclohexanecarbonyl)oxy-5-nitrophenyl] 4-butylcyclohexane-1-carboxylate;4-O-[3-(1,3-benzothiazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-(1,3-benzothiazol-2-yl)-4-(4-methylcyclohexanecarbonyl)oxyphenyl] 1-O-ethyl cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl] cyclohexane-1,4-dicarboxylate;1-O-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl] 4-O-[4-[4-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxy-3-(1-methylbenzimidazol-2-yl)phenyl] cyclohexane-1,4-dicarboxylate
PubChem CID157203974
Molecular FormulaC315H390N8O62S3
Molecular Weight5376.78 g/mol
Exact Mass5372.68
IUPAC Name[2-(1,3-benzothiazol-2-yl)-4-(4-butylcyclohexanecarbonyl)oxy-5-nitrophenyl] 4-butylcyclohexane-1-carboxylate;4-O-[3-(1,3-benzothiazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-(1,3-benzothiazol-2-yl)-4-(4-methylcyclohexanecarbonyl)oxyphenyl] 1-O-ethyl cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl] cyclohexane-1,4-dicarboxylate;1-O-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl] 4-O-[4-[4-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxy-3-(1-methylbenzimidazol-2-yl)phenyl] cyclohexane-1,4-dicarboxylate
SMILESCCC1CCC(C(=O)OC2CCC(OC(=O)C3CCC(C(=O)Oc4ccc(OC(=O)C5CCC(C(=O)OC6CCC(OC(=O)C7CCC(CC)CC7)CC6)CC5)c(-c5nc6ccccc6o5)c4)CC3)CC2)CC1.CCCCC1CCC(C(=O)Oc2cc([N+](=O)[O-])c(OC(=O)C3CCC(CCCC)CC3)cc2-c2nc3ccccc3s2)CC1.CCCCC1CCC(C(=O)Oc2ccc(OC(=O)C3CCC(C(=O)Oc4ccc(OC(=O)C5CCC(C(=O)Oc6ccc(OC(=O)C7CCC(CCCC)CC7)cc6)CC5)c(-c5nc6ccccc6o5)c4)CC3)cc2)CC1.CCCCC1CCC(C(=O)Oc2ccc(OC(=O)C3CCC(C(=O)Oc4ccc(OC(=O)C5CCC(C(=O)Oc6ccc(OC(=O)C7CCC(CCCC)CC7)cc6)CC5)c(-c5nc6ccccc6s5)c4)CC3)cc2)CC1.CCOC(=O)C1CCC(C(=O)Oc2ccc(OC(=O)C3CCC(C)CC3)cc2-c2nc3ccccc3s2)CC1.Cn1c(-c2cc(OC(=O)C3CCC(C(=O)OC4CCC(OC(=O)C5CCC(C(C)(C)C)CC5)CC4)CC3)ccc2OC(=O)C2CCC(C(=O)OC3CCC(OC(=O)C4CCC(C(C)(C)C)CC4)CC3)CC2)nc2ccccc21
InChIInChI=1S/C64H88N2O12.C63H73NO13.C63H73NO12S.C59H77NO13.C35H44N2O6S.C31H35NO6S/c1-63(2,3)45-24-20-43(21-25-45)59(69)75-49-32-28-47(29-33-49)73-57(67)39-12-14-41(15-13-39)61(71)77-51-36-37-55(52(38-51)56-65-53-10-8-9-11-54(53)66(56)7)78-62(72)42-18-16-40(17-19-42)58(68)74-48-30-34-50(35-31-48)76-60(70)44-22-26-46(27-23-44)64(4,5)6;1-3-5-9-40-13-17-42(18-14-40)58(65)71-48-29-33-50(34-30-48)73-60(67)44-21-23-46(24-22-44)62(69)75-52-37-38-55(53(39-52)57-64-54-11-7-8-12-56(54)76-57)77-63(70)47-27-25-45(26-28-47)61(68)74-51-35-31-49(32-36-51)72-59(66)43-19-15-41(16-20-43)10-6-4-2;1-3-5-9-40-13-17-42(18-14-40)58(65)71-48-29-33-50(34-30-48)73-60(67)44-21-23-46(24-22-44)62(69)75-52-37-38-55(53(39-52)57-64-54-11-7-8-12-56(54)77-57)76-63(70)47-27-25-45(26-28-47)61(68)74-51-35-31-49(32-36-51)72-59(66)43-19-15-41(16-20-43)10-6-4-2;1-3-36-9-13-38(14-10-36)54(61)67-44-25-29-46(30-26-44)69-56(63)40-17-19-42(20-18-40)58(65)71-48-33-34-51(49(35-48)53-60-50-7-5-6-8-52(50)72-53)73-59(66)43-23-21-41(22-24-43)57(64)70-47-31-27-45(28-32-47)68-55(62)39-15-11-37(4-2)12-16-39;1-3-5-9-23-13-17-25(18-14-23)34(38)42-30-22-29(37(40)41)31(21-27(30)33-36-28-11-7-8-12-32(28)44-33)43-35(39)26-19-15-24(16-20-26)10-6-4-2;1-3-36-29(33)20-12-14-22(15-13-20)31(35)38-26-17-16-23(37-30(34)21-10-8-19(2)9-11-21)18-24(26)28-32-25-6-4-5-7-27(25)39-28/h8-11,36-50H,12-35H2,1-7H3;2*7-8,11-12,29-47H,3-6,9-10,13-28H2,1-2H3;5-8,33-47H,3-4,9-32H2,1-2H3;7-8,11-12,21-26H,3-6,9-10,13-20H2,1-2H3;4-7,16-22H,3,8-15H2,1-2H3
InChIKeyARCZRKQNTJNSEW-UHFFFAOYSA-N
XLogP70.29
TPSA914.39 Ų
H-Bond Donors
H-Bond Acceptors72
Rotatable Bonds85
Heavy Atoms388
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005376.78
LogP ≤ 570.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1072

Analyze [2-(1,3-benzothiazol-2-yl)-4-(4-butylcyclohexanecarbonyl)oxy-5-nitrophenyl] 4-butylcyclohexane-1-carboxylate;4-O-[3-(1,3-benzothiazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-(1,3-benzothiazol-2-yl)-4-(4-methylcyclohexanecarbonyl)oxyphenyl] 1-O-ethyl cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl] cyclohexane-1,4-dicarboxylate;1-O-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl] 4-O-[4-[4-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxy-3-(1-methylbenzimidazol-2-yl)phenyl] cyclohexane-1,4-dicarboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzothiazol-2-yl)-4-(4-butylcyclohexanecarbonyl)oxy-5-nitrophenyl] 4-butylcyclohexane-1-carboxylate;4-O-[3-(1,3-benzothiazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-(1,3-benzothiazol-2-yl)-4-(4-methylcyclohexanecarbonyl)oxyphenyl] 1-O-ethyl cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl] cyclohexane-1,4-dicarboxylate;1-O-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl] 4-O-[4-[4-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxy-3-(1-methylbenzimidazol-2-yl)phenyl] cyclohexane-1,4-dicarboxylate?
The IUPAC name of [2-(1,3-benzothiazol-2-yl)-4-(4-butylcyclohexanecarbonyl)oxy-5-nitrophenyl] 4-butylcyclohexane-1-carboxylate;4-O-[3-(1,3-benzothiazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-(1,3-benzothiazol-2-yl)-4-(4-methylcyclohexanecarbonyl)oxyphenyl] 1-O-ethyl cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl] cyclohexane-1,4-dicarboxylate;1-O-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl] 4-O-[4-[4-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxy-3-(1-methylbenzimidazol-2-yl)phenyl] cyclohexane-1,4-dicarboxylate (CID 157203974) is [2-(1,3-benzothiazol-2-yl)-4-(4-butylcyclohexanecarbonyl)oxy-5-nitrophenyl] 4-butylcyclohexane-1-carboxylate;4-O-[3-(1,3-benzothiazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-(1,3-benzothiazol-2-yl)-4-(4-methylcyclohexanecarbonyl)oxyphenyl] 1-O-ethyl cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl] cyclohexane-1,4-dicarboxylate;1-O-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl] 4-O-[4-[4-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxy-3-(1-methylbenzimidazol-2-yl)phenyl] cyclohexane-1,4-dicarboxylate.
What is the SMILES notation for [2-(1,3-benzothiazol-2-yl)-4-(4-butylcyclohexanecarbonyl)oxy-5-nitrophenyl] 4-butylcyclohexane-1-carboxylate;4-O-[3-(1,3-benzothiazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-(1,3-benzothiazol-2-yl)-4-(4-methylcyclohexanecarbonyl)oxyphenyl] 1-O-ethyl cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl] cyclohexane-1,4-dicarboxylate;1-O-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl] 4-O-[4-[4-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxy-3-(1-methylbenzimidazol-2-yl)phenyl] cyclohexane-1,4-dicarboxylate?
The canonical SMILES for [2-(1,3-benzothiazol-2-yl)-4-(4-butylcyclohexanecarbonyl)oxy-5-nitrophenyl] 4-butylcyclohexane-1-carboxylate;4-O-[3-(1,3-benzothiazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-(1,3-benzothiazol-2-yl)-4-(4-methylcyclohexanecarbonyl)oxyphenyl] 1-O-ethyl cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl] cyclohexane-1,4-dicarboxylate;1-O-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl] 4-O-[4-[4-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxy-3-(1-methylbenzimidazol-2-yl)phenyl] cyclohexane-1,4-dicarboxylate is CCC1CCC(C(=O)OC2CCC(OC(=O)C3CCC(C(=O)Oc4ccc(OC(=O)C5CCC(C(=O)OC6CCC(OC(=O)C7CCC(CC)CC7)CC6)CC5)c(-c5nc6ccccc6o5)c4)CC3)CC2)CC1.CCCCC1CCC(C(=O)Oc2cc([N+](=O)[O-])c(OC(=O)C3CCC(CCCC)CC3)cc2-c2nc3ccccc3s2)CC1.CCCCC1CCC(C(=O)Oc2ccc(OC(=O)C3CCC(C(=O)Oc4ccc(OC(=O)C5CCC(C(=O)Oc6ccc(OC(=O)C7CCC(CCCC)CC7)cc6)CC5)c(-c5nc6ccccc6o5)c4)CC3)cc2)CC1.CCCCC1CCC(C(=O)Oc2ccc(OC(=O)C3CCC(C(=O)Oc4ccc(OC(=O)C5CCC(C(=O)Oc6ccc(OC(=O)C7CCC(CCCC)CC7)cc6)CC5)c(-c5nc6ccccc6s5)c4)CC3)cc2)CC1.CCOC(=O)C1CCC(C(=O)Oc2ccc(OC(=O)C3CCC(C)CC3)cc2-c2nc3ccccc3s2)CC1.Cn1c(-c2cc(OC(=O)C3CCC(C(=O)OC4CCC(OC(=O)C5CCC(C(C)(C)C)CC5)CC4)CC3)ccc2OC(=O)C2CCC(C(=O)OC3CCC(OC(=O)C4CCC(C(C)(C)C)CC4)CC3)CC2)nc2ccccc21.
What is the InChIKey of [2-(1,3-benzothiazol-2-yl)-4-(4-butylcyclohexanecarbonyl)oxy-5-nitrophenyl] 4-butylcyclohexane-1-carboxylate;4-O-[3-(1,3-benzothiazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-(1,3-benzothiazol-2-yl)-4-(4-methylcyclohexanecarbonyl)oxyphenyl] 1-O-ethyl cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl] cyclohexane-1,4-dicarboxylate;1-O-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl] 4-O-[4-[4-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxy-3-(1-methylbenzimidazol-2-yl)phenyl] cyclohexane-1,4-dicarboxylate?
The InChIKey is ARCZRKQNTJNSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H88N2O12.C63H73NO13.C63H73NO12S.C59H77NO13.C35H44N2O6S.C31H35NO6S/c1-63(2,3)45-24-20-43(21-25-45)59(69)75-49-32-28-47(29-33-49)73-57(67)39-12-14-41(15-13-39)61(71)77-51-36-37-55(52(38-51)56-65-53-10-8-9-11-54(53)66(56)7)78-62(72)42-18-16-40(17-19-42)58(68)74-48-30-34-50(35-31-48)76-60(70)44-22-26-46(27-23-44)64(4,5)6;1-3-5-9-40-13-17-42(18-14-40)58(65)71-48-29-33-50(34-30-48)73-60(67)44-21-23-46(24-22-44)62(69)75-52-37-38-55(53(39-52)57-64-54-11-7-8-12-56(54)76-57)77-63(70)47-27-25-45(26-28-47)61(68)74-51-35-31-49(32-36-51)72-59(66)43-19-15-41(16-20-43)10-6-4-2;1-3-5-9-40-13-17-42(18-14-40)58(65)71-48-29-33-50(34-30-48)73-60(67)44-21-23-46(24-22-44)62(69)75-52-37-38-55(53(39-52)57-64-54-11-7-8-12-56(54)77-57)76-63(70)47-27-25-45(26-28-47)61(68)74-51-35-31-49(32-36-51)72-59(66)43-19-15-41(16-20-43)10-6-4-2;1-3-36-9-13-38(14-10-36)54(61)67-44-25-29-46(30-26-44)69-56(63)40-17-19-42(20-18-40)58(65)71-48-33-34-51(49(35-48)53-60-50-7-5-6-8-52(50)72-53)73-59(66)43-23-21-41(22-24-43)57(64)70-47-31-27-45(28-32-47)68-55(62)39-15-11-37(4-2)12-16-39;1-3-5-9-23-13-17-25(18-14-23)34(38)42-30-22-29(37(40)41)31(21-27(30)33-36-28-11-7-8-12-32(28)44-33)43-35(39)26-19-15-24(16-20-26)10-6-4-2;1-3-36-29(33)20-12-14-22(15-13-20)31(35)38-26-17-16-23(37-30(34)21-10-8-19(2)9-11-21)18-24(26)28-32-25-6-4-5-7-27(25)39-28/h8-11,36-50H,12-35H2,1-7H3;2*7-8,11-12,29-47H,3-6,9-10,13-28H2,1-2H3;5-8,33-47H,3-4,9-32H2,1-2H3;7-8,11-12,21-26H,3-6,9-10,13-20H2,1-2H3;4-7,16-22H,3,8-15H2,1-2H3.
What are the key properties of [2-(1,3-benzothiazol-2-yl)-4-(4-butylcyclohexanecarbonyl)oxy-5-nitrophenyl] 4-butylcyclohexane-1-carboxylate;4-O-[3-(1,3-benzothiazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-(1,3-benzothiazol-2-yl)-4-(4-methylcyclohexanecarbonyl)oxyphenyl] 1-O-ethyl cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl] cyclohexane-1,4-dicarboxylate;1-O-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl] 4-O-[4-[4-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxy-3-(1-methylbenzimidazol-2-yl)phenyl] cyclohexane-1,4-dicarboxylate?
[2-(1,3-benzothiazol-2-yl)-4-(4-butylcyclohexanecarbonyl)oxy-5-nitrophenyl] 4-butylcyclohexane-1-carboxylate;4-O-[3-(1,3-benzothiazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-(1,3-benzothiazol-2-yl)-4-(4-methylcyclohexanecarbonyl)oxyphenyl] 1-O-ethyl cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl] cyclohexane-1,4-dicarboxylate;1-O-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl] 4-O-[4-[4-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxy-3-(1-methylbenzimidazol-2-yl)phenyl] cyclohexane-1,4-dicarboxylate has a molecular weight of 5376.78 g/mol, XLogP of 70.29, 85 rotatable bonds, 0 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzothiazol-2-yl)-4-(4-butylcyclohexanecarbonyl)oxy-5-nitrophenyl] 4-butylcyclohexane-1-carboxylate;4-O-[3-(1,3-benzothiazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-(1,3-benzothiazol-2-yl)-4-(4-methylcyclohexanecarbonyl)oxyphenyl] 1-O-ethyl cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-butylcyclohexanecarbonyl)oxyphenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-ethylcyclohexanecarbonyl)oxycyclohexyl] cyclohexane-1,4-dicarboxylate;1-O-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl] 4-O-[4-[4-[4-(4-tert-butylcyclohexanecarbonyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxy-3-(1-methylbenzimidazol-2-yl)phenyl] cyclohexane-1,4-dicarboxylate is sourced from PubChem (CID 157203974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).