C118H136Cl4N8O8 — CID 158226188
1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-ethylindol-3-yl]ethanone (PubChem CID 158226188) has the molecular formula C118H136Cl4N8O8 and a molecular weight of 1936.25 g/mol. Its IUPAC name is 1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-ethylindol-3-yl]ethanone.
| Compound Name | 1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-ethylindol-3-yl]ethanone |
|---|---|
| PubChem CID | 158226188 |
| Molecular Formula | C118H136Cl4N8O8 |
| Molecular Weight | 1936.25 g/mol |
| Exact Mass | 1932.92 |
| IUPAC Name | 1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-ethylindol-3-yl]ethanone |
| SMILES | CC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccccc2Cl)C3)c2c(C)cccc12.CCc1cccc2c(C(C)=O)cn(CCCN3C4CCC3CC(CCc3ccc(Cl)cc3)C4)c12.CCc1cccc2c(C(C)=O)cn(CCCN3C4CCC3CC(Oc3ccccc3Cl)C4)c12.COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3C4CCC3CC(Oc3ccccc3Cl)C4)c12 |
| InChI | InChI=1S/C33H35ClN2O3.C30H37ClN2O.C28H33ClN2O2.C27H31ClN2O2/c1-38-32-14-7-11-27-28(30(37)19-23-9-3-2-4-10-23)22-35(33(27)32)17-8-18-36-24-15-16-25(36)21-26(20-24)39-31-13-6-5-12-29(31)34;1-3-24-6-4-7-28-29(21(2)34)20-32(30(24)28)16-5-17-33-26-14-15-27(33)19-23(18-26)9-8-22-10-12-25(31)13-11-22;1-3-20-8-6-9-24-25(19(2)32)18-30(28(20)24)14-7-15-31-21-12-13-22(31)17-23(16-21)33-27-11-5-4-10-26(27)29;1-18-7-5-8-23-24(19(2)31)17-29(27(18)23)13-6-14-30-20-11-12-21(30)16-22(15-20)32-26-10-4-3-9-25(26)28/h2-7,9-14,22,24-26H,8,15-21H2,1H3;4,6-7,10-13,20,23,26-27H,3,5,8-9,14-19H2,1-2H3;4-6,8-11,18,21-23H,3,7,12-17H2,1-2H3;3-5,7-10,17,20-22H,6,11-16H2,1-2H3 |
| InChIKey | GDVFFNORUMWXKB-UHFFFAOYSA-N |
| XLogP | 27.31 |
| TPSA | 137.88 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 138 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1936.25 |
| LogP ≤ 5 | 27.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |