(16E)-3,14-dimethyl-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;(16E)-4,14-dimethyl-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;(16Z)-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;(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene;2,2,2-trifluoro-1-[(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]ethanone

C115H115F3N20O6 — CID 158962383

IUPAC(16E)-3,14-dimethyl-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;(16E)-4,14-dimethyl-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;(16Z)-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;(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene;2,2,2-trifluoro-1-[(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]ethanone
SMILESC1=C/CNCc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1.C1=C\CNc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1.Cc1cc2nc(n1)Nc1cccc(c1)CN(C)C/C=C\CCOc1cccc-2c1.Cc1cnc2nc1-c1cccc(c1)OCC/C=C\CN(C)Cc1cccc(c1)N2.O=C(N1C/C=C\CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1)C(F)(F)F
InChIInChI=1S/C24H21F3N4O2.2C24H26N4O.C22H22N4O.C21H20N4O/c25-24(26,27)22(32)31-12-2-1-3-13-33-20-9-5-7-18(15-20)21-10-11-28-23(30-21)29-19-8-4-6-17(14-19)16-31;1-18-16-25-24-26-21-10-6-8-19(14-21)17-28(2)12-4-3-5-13-29-22-11-7-9-20(15-22)23(18)27-24;1-18-14-23-20-9-7-11-22(16-20)29-13-5-3-4-12-28(2)17-19-8-6-10-21(15-19)26-24(25-18)27-23;1-2-11-23-16-17-6-4-8-19(14-17)25-22-24-12-10-21(26-22)18-7-5-9-20(15-18)27-13-3-1;1-2-11-22-17-7-5-8-18(15-17)24-21-23-12-10-20(25-21)16-6-4-9-19(14-16)26-13-3-1/h1-2,4-11,14-15H,3,12-13,16H2,(H,28,29,30);2*3-4,6-11,14-16H,5,12-13,17H2,1-2H3,(H,25,26,27);1-2,4-10,12,14-15,23H,3,11,13,16H2,(H,24,25,26);1-2,4-10,12,14-15,22H,3,11,13H2,(H,23,24,25)/b2-1-;2*4-3-;2-1+;2-1-
InChIKeyJMTYTLLAZAICAX-NFWJQYCRSA-N
MW1930.31 g/mol
LogP24.00
Rot. Bonds

About (16E)-3,14-dimethyl-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;(16E)-4,14-dimethyl-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;(16Z)-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;(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene;2,2,2-trifluoro-1-[(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]ethanone

(16E)-3,14-dimethyl-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;(16E)-4,14-dimethyl-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;(16Z)-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;(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene;2,2,2-trifluoro-1-[(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]ethanone (PubChem CID 158962383) has the molecular formula C115H115F3N20O6 and a molecular weight of 1930.31 g/mol. Its IUPAC name is (16E)-3,14-dimethyl-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;(16E)-4,14-dimethyl-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;(16Z)-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;(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene;2,2,2-trifluoro-1-[(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]ethanone.

Molecular Properties

Compound Name(16E)-3,14-dimethyl-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;(16E)-4,14-dimethyl-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;(16Z)-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;(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene;2,2,2-trifluoro-1-[(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]ethanone
PubChem CID158962383
Molecular FormulaC115H115F3N20O6
Molecular Weight1930.31 g/mol
Exact Mass1928.93
IUPAC Name(16E)-3,14-dimethyl-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;(16E)-4,14-dimethyl-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;(16Z)-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;(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene;2,2,2-trifluoro-1-[(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]ethanone
SMILESC1=C/CNCc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1.C1=C\CNc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1.Cc1cc2nc(n1)Nc1cccc(c1)CN(C)C/C=C\CCOc1cccc-2c1.Cc1cnc2nc1-c1cccc(c1)OCC/C=C\CN(C)Cc1cccc(c1)N2.O=C(N1C/C=C\CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1)C(F)(F)F
InChIInChI=1S/C24H21F3N4O2.2C24H26N4O.C22H22N4O.C21H20N4O/c25-24(26,27)22(32)31-12-2-1-3-13-33-20-9-5-7-18(15-20)21-10-11-28-23(30-21)29-19-8-4-6-17(14-19)16-31;1-18-16-25-24-26-21-10-6-8-19(14-21)17-28(2)12-4-3-5-13-29-22-11-7-9-20(15-22)23(18)27-24;1-18-14-23-20-9-7-11-22(16-20)29-13-5-3-4-12-28(2)17-19-8-6-10-21(15-19)26-24(25-18)27-23;1-2-11-23-16-17-6-4-8-19(14-17)25-22-24-12-10-21(26-22)18-7-5-9-20(15-18)27-13-3-1;1-2-11-22-17-7-5-8-18(15-17)24-21-23-12-10-20(25-21)16-6-4-9-19(14-16)26-13-3-1/h1-2,4-11,14-15H,3,12-13,16H2,(H,28,29,30);2*3-4,6-11,14-16H,5,12-13,17H2,1-2H3,(H,25,26,27);1-2,4-10,12,14-15,23H,3,11,13,16H2,(H,24,25,26);1-2,4-10,12,14-15,22H,3,11,13H2,(H,23,24,25)/b2-1-;2*4-3-;2-1+;2-1-
InChIKeyJMTYTLLAZAICAX-NFWJQYCRSA-N
XLogP24.00
TPSA286.05 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001930.31
LogP ≤ 524.00
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze (16E)-3,14-dimethyl-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;(16E)-4,14-dimethyl-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;(16Z)-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;(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene;2,2,2-trifluoro-1-[(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]ethanone with MolForge

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Related Compounds

1-[(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]-2-(propan-2-ylamino)ethanone
CID 16739812
CID 16739919
CID 16739919
N-[(16E)-14-methyl-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-10-yl]morpholine-4-carboxamide
CID 16739952
N-(3-fluorophenyl)-2-[(3-phenoxyphenyl)methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46942496
2-[(3-phenoxyphenyl)methylamino]-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46947968
CID 16739808
CID 16739808
N-[3-(4-{[(3-Methoxyphenyl)methyl]carbamoyl}piperidin-1-YL)-3-oxopropyl]-1-[4-(trifluoromethyl)pyrimidin-2-YL]piperidine-4-carboxamide
CID 46103356
N-[4-[2-[3-[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide
CID 57991022
N-[2-[4-(dimethylamino)piperidin-1-yl]quinazolin-6-yl]-2-(4-methylphenoxy)acetamide;N-(2-piperazin-1-ylquinazolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 69864000
5-[2-Morpholin-4-yl-6-(3-piperidin-4-yloxyphenyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 70660461
2-fluoro-1-[(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]ethanone
CID 70966457
2,2,2-Trifluoro-1-(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)ethanone
CID 73317391

Frequently Asked Questions

What is the IUPAC name of (16E)-3,14-dimethyl-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;(16E)-4,14-dimethyl-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;(16Z)-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;(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene;2,2,2-trifluoro-1-[(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]ethanone?
The IUPAC name of (16E)-3,14-dimethyl-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;(16E)-4,14-dimethyl-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;(16Z)-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;(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene;2,2,2-trifluoro-1-[(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]ethanone (CID 158962383) is (16E)-3,14-dimethyl-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;(16E)-4,14-dimethyl-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;(16Z)-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;(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene;2,2,2-trifluoro-1-[(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]ethanone.
What is the SMILES notation for (16E)-3,14-dimethyl-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;(16E)-4,14-dimethyl-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;(16Z)-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;(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene;2,2,2-trifluoro-1-[(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]ethanone?
The canonical SMILES for (16E)-3,14-dimethyl-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;(16E)-4,14-dimethyl-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;(16Z)-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;(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene;2,2,2-trifluoro-1-[(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]ethanone is C1=C/CNCc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1.C1=C\CNc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1.Cc1cc2nc(n1)Nc1cccc(c1)CN(C)C/C=C\CCOc1cccc-2c1.Cc1cnc2nc1-c1cccc(c1)OCC/C=C\CN(C)Cc1cccc(c1)N2.O=C(N1C/C=C\CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1)C(F)(F)F.
What is the InChIKey of (16E)-3,14-dimethyl-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;(16E)-4,14-dimethyl-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;(16Z)-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;(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene;2,2,2-trifluoro-1-[(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]ethanone?
The InChIKey is JMTYTLLAZAICAX-NFWJQYCRSA-N. The full InChI is InChI=1S/C24H21F3N4O2.2C24H26N4O.C22H22N4O.C21H20N4O/c25-24(26,27)22(32)31-12-2-1-3-13-33-20-9-5-7-18(15-20)21-10-11-28-23(30-21)29-19-8-4-6-17(14-19)16-31;1-18-16-25-24-26-21-10-6-8-19(14-21)17-28(2)12-4-3-5-13-29-22-11-7-9-20(15-22)23(18)27-24;1-18-14-23-20-9-7-11-22(16-20)29-13-5-3-4-12-28(2)17-19-8-6-10-21(15-19)26-24(25-18)27-23;1-2-11-23-16-17-6-4-8-19(14-17)25-22-24-12-10-21(26-22)18-7-5-9-20(15-18)27-13-3-1;1-2-11-22-17-7-5-8-18(15-17)24-21-23-12-10-20(25-21)16-6-4-9-19(14-16)26-13-3-1/h1-2,4-11,14-15H,3,12-13,16H2,(H,28,29,30);2*3-4,6-11,14-16H,5,12-13,17H2,1-2H3,(H,25,26,27);1-2,4-10,12,14-15,23H,3,11,13,16H2,(H,24,25,26);1-2,4-10,12,14-15,22H,3,11,13H2,(H,23,24,25)/b2-1-;2*4-3-;2-1+;2-1-.
What are the key properties of (16E)-3,14-dimethyl-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;(16E)-4,14-dimethyl-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;(16Z)-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;(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene;2,2,2-trifluoro-1-[(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]ethanone?
(16E)-3,14-dimethyl-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;(16E)-4,14-dimethyl-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;(16Z)-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;(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene;2,2,2-trifluoro-1-[(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]ethanone has a molecular weight of 1930.31 g/mol, XLogP of 24.00, 0 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (16E)-3,14-dimethyl-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;(16E)-4,14-dimethyl-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;(16Z)-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;(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene;2,2,2-trifluoro-1-[(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]ethanone is sourced from PubChem (CID 158962383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).