(16E)-3,14-dimethyl-11-[2-(1,2,4-triazol-1-yl)ethoxy]-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-11-(2-methoxyethoxy)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-14-(2-methoxyethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(9E)-12-methyl-15-(2-pyrrolidin-1-ylethoxy)-6-oxa-26-thia-12,19,21,24-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene;2-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]ethanol

C130H147FN24O11S — CID 157084576

IUPAC(16E)-3,14-dimethyl-11-[2-(1,2,4-triazol-1-yl)ethoxy]-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-11-(2-methoxyethoxy)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-14-(2-methoxyethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(9E)-12-methyl-15-(2-pyrrolidin-1-ylethoxy)-6-oxa-26-thia-12,19,21,24-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene;2-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]ethanol
SMILESCN1C/C=C\CCOc2ccc(s2)-c2ccnc(n2)Nc2ccc(OCCN3CCCC3)c(c2)C1.COCCN1C/C=C\CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1.COCCOc1ccc2cc1CN(C)C/C=C\CCOc1cc(F)cc(c1)-c1ccnc(n1)N2.Cc1cnc2nc1-c1cccc(c1)OCC/C=C\CN(C)Cc1cc(ccc1OCCn1cncn1)N2.OCCN1C/C=C\CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1
InChIInChI=1S/C28H31N7O2.C27H33N5O2S.C26H29FN4O3.C25H28N4O2.C24H26N4O2/c1-21-17-30-28-32-24-9-10-26(37-14-12-35-20-29-19-31-35)23(15-24)18-34(2)11-4-3-5-13-36-25-8-6-7-22(16-25)27(21)33-28;1-31-13-3-2-6-17-34-26-10-9-25(35-26)23-11-12-28-27(30-23)29-22-7-8-24(21(19-22)20-31)33-18-16-32-14-4-5-15-32;1-31-10-4-3-5-11-33-23-16-19(14-21(27)17-23)24-8-9-28-26(30-24)29-22-6-7-25(20(15-22)18-31)34-13-12-32-2;1-30-16-14-29-13-3-2-4-15-31-23-10-6-8-21(18-23)24-11-12-26-25(28-24)27-22-9-5-7-20(17-22)19-29;29-14-13-28-12-2-1-3-15-30-22-9-5-7-20(17-22)23-10-11-25-24(27-23)26-21-8-4-6-19(16-21)18-28/h3-4,6-10,15-17,19-20H,5,11-14,18H2,1-2H3,(H,30,32,33);2-3,7-12,19H,4-6,13-18,20H2,1H3,(H,28,29,30);3-4,6-9,14-17H,5,10-13,18H2,1-2H3,(H,28,29,30);2-3,5-12,17-18H,4,13-16,19H2,1H3,(H,26,27,28);1-2,4-11,16-17,29H,3,12-15,18H2,(H,25,26,27)/b4-3-;3-2-;4-3-;3-2-;2-1-
InChIKeyADYFLVFECNHSKI-ZGDUFNSCSA-N
MW2272.83 g/mol
LogP23.35
Rot. Bonds17

About (16E)-3,14-dimethyl-11-[2-(1,2,4-triazol-1-yl)ethoxy]-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-11-(2-methoxyethoxy)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-14-(2-methoxyethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(9E)-12-methyl-15-(2-pyrrolidin-1-ylethoxy)-6-oxa-26-thia-12,19,21,24-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene;2-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]ethanol

(16E)-3,14-dimethyl-11-[2-(1,2,4-triazol-1-yl)ethoxy]-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-11-(2-methoxyethoxy)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-14-(2-methoxyethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(9E)-12-methyl-15-(2-pyrrolidin-1-ylethoxy)-6-oxa-26-thia-12,19,21,24-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene;2-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]ethanol (PubChem CID 157084576) has the molecular formula C130H147FN24O11S and a molecular weight of 2272.83 g/mol. Its IUPAC name is (16E)-3,14-dimethyl-11-[2-(1,2,4-triazol-1-yl)ethoxy]-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-11-(2-methoxyethoxy)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-14-(2-methoxyethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(9E)-12-methyl-15-(2-pyrrolidin-1-ylethoxy)-6-oxa-26-thia-12,19,21,24-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene;2-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]ethanol.

Molecular Properties

Compound Name(16E)-3,14-dimethyl-11-[2-(1,2,4-triazol-1-yl)ethoxy]-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-11-(2-methoxyethoxy)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-14-(2-methoxyethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(9E)-12-methyl-15-(2-pyrrolidin-1-ylethoxy)-6-oxa-26-thia-12,19,21,24-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene;2-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]ethanol
PubChem CID157084576
Molecular FormulaC130H147FN24O11S
Molecular Weight2272.83 g/mol
Exact Mass2271.14
IUPAC Name(16E)-3,14-dimethyl-11-[2-(1,2,4-triazol-1-yl)ethoxy]-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-11-(2-methoxyethoxy)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-14-(2-methoxyethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(9E)-12-methyl-15-(2-pyrrolidin-1-ylethoxy)-6-oxa-26-thia-12,19,21,24-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene;2-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]ethanol
SMILESCN1C/C=C\CCOc2ccc(s2)-c2ccnc(n2)Nc2ccc(OCCN3CCCC3)c(c2)C1.COCCN1C/C=C\CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1.COCCOc1ccc2cc1CN(C)C/C=C\CCOc1cc(F)cc(c1)-c1ccnc(n1)N2.Cc1cnc2nc1-c1cccc(c1)OCC/C=C\CN(C)Cc1cc(ccc1OCCn1cncn1)N2.OCCN1C/C=C\CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1
InChIInChI=1S/C28H31N7O2.C27H33N5O2S.C26H29FN4O3.C25H28N4O2.C24H26N4O2/c1-21-17-30-28-32-24-9-10-26(37-14-12-35-20-29-19-31-35)23(15-24)18-34(2)11-4-3-5-13-36-25-8-6-7-22(16-25)27(21)33-28;1-31-13-3-2-6-17-34-26-10-9-25(35-26)23-11-12-28-27(30-23)29-22-7-8-24(21(19-22)20-31)33-18-16-32-14-4-5-15-32;1-31-10-4-3-5-11-33-23-16-19(14-21(27)17-23)24-8-9-28-26(30-24)29-22-6-7-25(20(15-22)18-31)34-13-12-32-2;1-30-16-14-29-13-3-2-4-15-31-23-10-6-8-21(18-23)24-11-12-26-25(28-24)27-22-9-5-7-20(17-22)19-29;29-14-13-28-12-2-1-3-15-30-22-9-5-7-20(17-22)23-10-11-25-24(27-23)26-21-8-4-6-19(16-21)18-28/h3-4,6-10,15-17,19-20H,5,11-14,18H2,1-2H3,(H,30,32,33);2-3,7-12,19H,4-6,13-18,20H2,1H3,(H,28,29,30);3-4,6-9,14-17H,5,10-13,18H2,1-2H3,(H,28,29,30);2-3,5-12,17-18H,4,13-16,19H2,1H3,(H,26,27,28);1-2,4-11,16-17,29H,3,12-15,18H2,(H,25,26,27)/b4-3-;3-2-;4-3-;3-2-;2-1-
InChIKeyADYFLVFECNHSKI-ZGDUFNSCSA-N
XLogP23.35
TPSA351.73 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds17
Heavy Atoms167
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002272.83
LogP ≤ 523.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (16E)-3,14-dimethyl-11-[2-(1,2,4-triazol-1-yl)ethoxy]-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-11-(2-methoxyethoxy)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-14-(2-methoxyethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(9E)-12-methyl-15-(2-pyrrolidin-1-ylethoxy)-6-oxa-26-thia-12,19,21,24-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene;2-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (16E)-3,14-dimethyl-11-[2-(1,2,4-triazol-1-yl)ethoxy]-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-11-(2-methoxyethoxy)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-14-(2-methoxyethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(9E)-12-methyl-15-(2-pyrrolidin-1-ylethoxy)-6-oxa-26-thia-12,19,21,24-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene;2-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]ethanol?
The IUPAC name of (16E)-3,14-dimethyl-11-[2-(1,2,4-triazol-1-yl)ethoxy]-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-11-(2-methoxyethoxy)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-14-(2-methoxyethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(9E)-12-methyl-15-(2-pyrrolidin-1-ylethoxy)-6-oxa-26-thia-12,19,21,24-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene;2-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]ethanol (CID 157084576) is (16E)-3,14-dimethyl-11-[2-(1,2,4-triazol-1-yl)ethoxy]-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-11-(2-methoxyethoxy)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-14-(2-methoxyethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(9E)-12-methyl-15-(2-pyrrolidin-1-ylethoxy)-6-oxa-26-thia-12,19,21,24-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene;2-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]ethanol.
What is the SMILES notation for (16E)-3,14-dimethyl-11-[2-(1,2,4-triazol-1-yl)ethoxy]-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-11-(2-methoxyethoxy)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-14-(2-methoxyethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(9E)-12-methyl-15-(2-pyrrolidin-1-ylethoxy)-6-oxa-26-thia-12,19,21,24-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene;2-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]ethanol?
The canonical SMILES for (16E)-3,14-dimethyl-11-[2-(1,2,4-triazol-1-yl)ethoxy]-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-11-(2-methoxyethoxy)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-14-(2-methoxyethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(9E)-12-methyl-15-(2-pyrrolidin-1-ylethoxy)-6-oxa-26-thia-12,19,21,24-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene;2-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]ethanol is CN1C/C=C\CCOc2ccc(s2)-c2ccnc(n2)Nc2ccc(OCCN3CCCC3)c(c2)C1.COCCN1C/C=C\CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1.COCCOc1ccc2cc1CN(C)C/C=C\CCOc1cc(F)cc(c1)-c1ccnc(n1)N2.Cc1cnc2nc1-c1cccc(c1)OCC/C=C\CN(C)Cc1cc(ccc1OCCn1cncn1)N2.OCCN1C/C=C\CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1.
What is the InChIKey of (16E)-3,14-dimethyl-11-[2-(1,2,4-triazol-1-yl)ethoxy]-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-11-(2-methoxyethoxy)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-14-(2-methoxyethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(9E)-12-methyl-15-(2-pyrrolidin-1-ylethoxy)-6-oxa-26-thia-12,19,21,24-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene;2-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]ethanol?
The InChIKey is ADYFLVFECNHSKI-ZGDUFNSCSA-N. The full InChI is InChI=1S/C28H31N7O2.C27H33N5O2S.C26H29FN4O3.C25H28N4O2.C24H26N4O2/c1-21-17-30-28-32-24-9-10-26(37-14-12-35-20-29-19-31-35)23(15-24)18-34(2)11-4-3-5-13-36-25-8-6-7-22(16-25)27(21)33-28;1-31-13-3-2-6-17-34-26-10-9-25(35-26)23-11-12-28-27(30-23)29-22-7-8-24(21(19-22)20-31)33-18-16-32-14-4-5-15-32;1-31-10-4-3-5-11-33-23-16-19(14-21(27)17-23)24-8-9-28-26(30-24)29-22-6-7-25(20(15-22)18-31)34-13-12-32-2;1-30-16-14-29-13-3-2-4-15-31-23-10-6-8-21(18-23)24-11-12-26-25(28-24)27-22-9-5-7-20(17-22)19-29;29-14-13-28-12-2-1-3-15-30-22-9-5-7-20(17-22)23-10-11-25-24(27-23)26-21-8-4-6-19(16-21)18-28/h3-4,6-10,15-17,19-20H,5,11-14,18H2,1-2H3,(H,30,32,33);2-3,7-12,19H,4-6,13-18,20H2,1H3,(H,28,29,30);3-4,6-9,14-17H,5,10-13,18H2,1-2H3,(H,28,29,30);2-3,5-12,17-18H,4,13-16,19H2,1H3,(H,26,27,28);1-2,4-11,16-17,29H,3,12-15,18H2,(H,25,26,27)/b4-3-;3-2-;4-3-;3-2-;2-1-.
What are the key properties of (16E)-3,14-dimethyl-11-[2-(1,2,4-triazol-1-yl)ethoxy]-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-11-(2-methoxyethoxy)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-14-(2-methoxyethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(9E)-12-methyl-15-(2-pyrrolidin-1-ylethoxy)-6-oxa-26-thia-12,19,21,24-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene;2-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]ethanol?
(16E)-3,14-dimethyl-11-[2-(1,2,4-triazol-1-yl)ethoxy]-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-11-(2-methoxyethoxy)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-14-(2-methoxyethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(9E)-12-methyl-15-(2-pyrrolidin-1-ylethoxy)-6-oxa-26-thia-12,19,21,24-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene;2-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]ethanol has a molecular weight of 2272.83 g/mol, XLogP of 23.35, 17 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (16E)-3,14-dimethyl-11-[2-(1,2,4-triazol-1-yl)ethoxy]-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-11-(2-methoxyethoxy)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-14-(2-methoxyethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(9E)-12-methyl-15-(2-pyrrolidin-1-ylethoxy)-6-oxa-26-thia-12,19,21,24-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene;2-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]ethanol is sourced from PubChem (CID 157084576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).