14-bromo-5-cyclohexyl-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-ethyl-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-10-fluoro-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-(methoxymethyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-4,10,11-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2-fluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene

C110H152BrCl5F2N36O7 — CID 160918313

IUPAC14-bromo-5-cyclohexyl-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-ethyl-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-10-fluoro-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-(methoxymethyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-4,10,11-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2-fluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
SMILESCCC1CCOc2nn(C3CCCCC3)c(C)c2Nc2ncc(Cl)c(n2)N1.COCC1CCOc2nn(C3CCCCC3)c(C)c2Nc2ncc(Cl)c(n2)N1.Cc1c2c(nn1C1CCCCC1)OCC(C)C(C)Nc1nc(ncc1Cl)N2.Cc1c2c(nn1C1CCCCC1)OCC(F)CNc1nc(ncc1Cl)N2.Cc1c2c(nn1C1CCCCC1)OCCC(C)Nc1nc(ncc1Br)N2.Cc1c2c(nn1C1CCCCC1F)OCCC(C)Nc1nc(ncc1Cl)N2
InChIInChI=1S/C19H27ClN6O2.2C19H27ClN6O.C18H25BrN6O.C18H24ClFN6O.C17H22ClFN6O/c1-12-16-18(25-26(12)14-6-4-3-5-7-14)28-9-8-13(11-27-2)22-17-15(20)10-21-19(23-16)24-17;1-11-10-27-18-16(13(3)26(25-18)14-7-5-4-6-8-14)23-19-21-9-15(20)17(24-19)22-12(11)2;1-3-13-9-10-27-18-16(23-19-21-11-15(20)17(22-13)24-19)12(2)26(25-18)14-7-5-4-6-8-14;1-11-8-9-26-17-15(22-18-20-10-14(19)16(21-11)23-18)12(2)25(24-17)13-6-4-3-5-7-13;1-10-7-8-27-17-15(23-18-21-9-12(19)16(22-10)24-18)11(2)26(25-17)14-6-4-3-5-13(14)20;1-10-14-16(24-25(10)12-5-3-2-4-6-12)26-9-11(19)7-20-15-13(18)8-21-17(22-14)23-15/h10,13-14H,3-9,11H2,1-2H3,(H2,21,22,23,24);9,11-12,14H,4-8,10H2,1-3H3,(H2,21,22,23,24);11,13-14H,3-10H2,1-2H3,(H2,21,22,23,24);10-11,13H,3-9H2,1-2H3,(H2,20,21,22,23);9-10,13-14H,3-8H2,1-2H3,(H2,21,22,23,24);8,11-12H,2-7,9H2,1H3,(H2,20,21,22,23)
InChIKeySRRWGUJLEJEGCK-UHFFFAOYSA-N
MW2385.84 g/mol
LogP26.68
Rot. Bonds9

About 14-bromo-5-cyclohexyl-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-ethyl-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-10-fluoro-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-(methoxymethyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-4,10,11-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2-fluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene

14-bromo-5-cyclohexyl-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-ethyl-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-10-fluoro-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-(methoxymethyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-4,10,11-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2-fluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene (PubChem CID 160918313) has the molecular formula C110H152BrCl5F2N36O7 and a molecular weight of 2385.84 g/mol. Its IUPAC name is 14-bromo-5-cyclohexyl-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-ethyl-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-10-fluoro-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-(methoxymethyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-4,10,11-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2-fluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene.

Molecular Properties

Compound Name14-bromo-5-cyclohexyl-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-ethyl-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-10-fluoro-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-(methoxymethyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-4,10,11-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2-fluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
PubChem CID160918313
Molecular FormulaC110H152BrCl5F2N36O7
Molecular Weight2385.84 g/mol
Exact Mass2381.02
IUPAC Name14-bromo-5-cyclohexyl-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-ethyl-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-10-fluoro-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-(methoxymethyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-4,10,11-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2-fluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
SMILESCCC1CCOc2nn(C3CCCCC3)c(C)c2Nc2ncc(Cl)c(n2)N1.COCC1CCOc2nn(C3CCCCC3)c(C)c2Nc2ncc(Cl)c(n2)N1.Cc1c2c(nn1C1CCCCC1)OCC(C)C(C)Nc1nc(ncc1Cl)N2.Cc1c2c(nn1C1CCCCC1)OCC(F)CNc1nc(ncc1Cl)N2.Cc1c2c(nn1C1CCCCC1)OCCC(C)Nc1nc(ncc1Br)N2.Cc1c2c(nn1C1CCCCC1F)OCCC(C)Nc1nc(ncc1Cl)N2
InChIInChI=1S/C19H27ClN6O2.2C19H27ClN6O.C18H25BrN6O.C18H24ClFN6O.C17H22ClFN6O/c1-12-16-18(25-26(12)14-6-4-3-5-7-14)28-9-8-13(11-27-2)22-17-15(20)10-21-19(23-16)24-17;1-11-10-27-18-16(13(3)26(25-18)14-7-5-4-6-8-14)23-19-21-9-15(20)17(24-19)22-12(11)2;1-3-13-9-10-27-18-16(23-19-21-11-15(20)17(22-13)24-19)12(2)26(25-18)14-7-5-4-6-8-14;1-11-8-9-26-17-15(22-18-20-10-14(19)16(21-11)23-18)12(2)25(24-17)13-6-4-3-5-7-13;1-10-7-8-27-17-15(23-18-21-9-12(19)16(22-10)24-18)11(2)26(25-17)14-6-4-3-5-13(14)20;1-10-14-16(24-25(10)12-5-3-2-4-6-12)26-9-11(19)7-20-15-13(18)8-21-17(22-14)23-15/h10,13-14H,3-9,11H2,1-2H3,(H2,21,22,23,24);9,11-12,14H,4-8,10H2,1-3H3,(H2,21,22,23,24);11,13-14H,3-10H2,1-2H3,(H2,21,22,23,24);10-11,13H,3-9H2,1-2H3,(H2,20,21,22,23);9-10,13-14H,3-8H2,1-2H3,(H2,21,22,23,24);8,11-12H,2-7,9H2,1H3,(H2,20,21,22,23)
InChIKeySRRWGUJLEJEGCK-UHFFFAOYSA-N
XLogP26.68
TPSA470.57 Ų
H-Bond Donors12
H-Bond Acceptors43
Rotatable Bonds9
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002385.84
LogP ≤ 526.68
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1043

Analyze 14-bromo-5-cyclohexyl-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-ethyl-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-10-fluoro-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-(methoxymethyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-4,10,11-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2-fluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-bromo-5-cyclohexyl-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-ethyl-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-10-fluoro-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-(methoxymethyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-4,10,11-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2-fluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene?
The IUPAC name of 14-bromo-5-cyclohexyl-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-ethyl-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-10-fluoro-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-(methoxymethyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-4,10,11-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2-fluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene (CID 160918313) is 14-bromo-5-cyclohexyl-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-ethyl-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-10-fluoro-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-(methoxymethyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-4,10,11-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2-fluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene.
What is the SMILES notation for 14-bromo-5-cyclohexyl-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-ethyl-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-10-fluoro-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-(methoxymethyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-4,10,11-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2-fluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene?
The canonical SMILES for 14-bromo-5-cyclohexyl-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-ethyl-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-10-fluoro-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-(methoxymethyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-4,10,11-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2-fluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene is CCC1CCOc2nn(C3CCCCC3)c(C)c2Nc2ncc(Cl)c(n2)N1.COCC1CCOc2nn(C3CCCCC3)c(C)c2Nc2ncc(Cl)c(n2)N1.Cc1c2c(nn1C1CCCCC1)OCC(C)C(C)Nc1nc(ncc1Cl)N2.Cc1c2c(nn1C1CCCCC1)OCC(F)CNc1nc(ncc1Cl)N2.Cc1c2c(nn1C1CCCCC1)OCCC(C)Nc1nc(ncc1Br)N2.Cc1c2c(nn1C1CCCCC1F)OCCC(C)Nc1nc(ncc1Cl)N2.
What is the InChIKey of 14-bromo-5-cyclohexyl-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-ethyl-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-10-fluoro-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-(methoxymethyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-4,10,11-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2-fluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene?
The InChIKey is SRRWGUJLEJEGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN6O2.2C19H27ClN6O.C18H25BrN6O.C18H24ClFN6O.C17H22ClFN6O/c1-12-16-18(25-26(12)14-6-4-3-5-7-14)28-9-8-13(11-27-2)22-17-15(20)10-21-19(23-16)24-17;1-11-10-27-18-16(13(3)26(25-18)14-7-5-4-6-8-14)23-19-21-9-15(20)17(24-19)22-12(11)2;1-3-13-9-10-27-18-16(23-19-21-11-15(20)17(22-13)24-19)12(2)26(25-18)14-7-5-4-6-8-14;1-11-8-9-26-17-15(22-18-20-10-14(19)16(21-11)23-18)12(2)25(24-17)13-6-4-3-5-7-13;1-10-7-8-27-17-15(23-18-21-9-12(19)16(22-10)24-18)11(2)26(25-17)14-6-4-3-5-13(14)20;1-10-14-16(24-25(10)12-5-3-2-4-6-12)26-9-11(19)7-20-15-13(18)8-21-17(22-14)23-15/h10,13-14H,3-9,11H2,1-2H3,(H2,21,22,23,24);9,11-12,14H,4-8,10H2,1-3H3,(H2,21,22,23,24);11,13-14H,3-10H2,1-2H3,(H2,21,22,23,24);10-11,13H,3-9H2,1-2H3,(H2,20,21,22,23);9-10,13-14H,3-8H2,1-2H3,(H2,21,22,23,24);8,11-12H,2-7,9H2,1H3,(H2,20,21,22,23).
What are the key properties of 14-bromo-5-cyclohexyl-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-ethyl-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-10-fluoro-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-(methoxymethyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-4,10,11-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2-fluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene?
14-bromo-5-cyclohexyl-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-ethyl-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-10-fluoro-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-(methoxymethyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-4,10,11-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2-fluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene has a molecular weight of 2385.84 g/mol, XLogP of 26.68, 9 rotatable bonds, 12 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 14-bromo-5-cyclohexyl-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-ethyl-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-10-fluoro-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-(methoxymethyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-4,10,11-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2-fluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene is sourced from PubChem (CID 160918313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).