2-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,3-benzothiazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-ethyl-1,2-oxazole;5-[(2S,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole;methyl (3S,5R)-3-(4-ethyl-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-[4-(2-phenylethynyl)phenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate;tetrahydrochloride

C146H170Cl8IN11O9S — CID 157059888

IUPAC2-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,3-benzothiazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-ethyl-1,2-oxazole;5-[(2S,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole;methyl (3S,5R)-3-(4-ethyl-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-[4-(2-phenylethynyl)phenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate;tetrahydrochloride
SMILESCC(C)c1cc([C@@H]2C3CC[C@H](C[C@@H]2c2ccc(Cl)cc2)N3C)on1.CCc1cc([C@@H]2C3CC[C@H](C[C@@H]2c2ccc(Cl)cc2)N3C)on1.CCc1ccc([C@H]2C[C@H]3CCC(C2C(=O)OC)N3C)cc1I.CN1C2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)C2c1nc2ccccc2s1.COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C#Cc3ccccc3)cc1)N2C.COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc3ccccc3c1)N2C.Cc1ccc(-c2cc([C@@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)on2)cc1.Cl.Cl.Cl.Cl
InChIInChI=1S/C24H25ClN2O.C24H25NO2.C21H21ClN2S.C20H25ClN2O.C20H23NO2.C19H23ClN2O.C18H24INO2.4ClH/c1-15-3-5-17(6-4-15)21-14-23(28-26-21)24-20(16-7-9-18(25)10-8-16)13-19-11-12-22(24)27(19)2;1-25-20-14-15-22(25)23(24(26)27-2)21(16-20)19-12-10-18(11-13-19)9-8-17-6-4-3-5-7-17;1-24-15-10-11-18(24)20(16(12-15)13-6-8-14(22)9-7-13)21-23-17-4-2-3-5-19(17)25-21;1-12(2)17-11-19(24-22-17)20-16(13-4-6-14(21)7-5-13)10-15-8-9-18(20)23(15)3;1-21-16-9-10-18(21)19(20(22)23-2)17(12-16)15-8-7-13-5-3-4-6-14(13)11-15;1-3-14-10-18(23-21-14)19-16(12-4-6-13(20)7-5-12)11-15-8-9-17(19)22(15)2;1-4-11-5-6-12(9-15(11)19)14-10-13-7-8-16(20(13)2)17(14)18(21)22-3;;;;/h3-10,14,19-20,22,24H,11-13H2,1-2H3;3-7,10-13,20-23H,14-16H2,1-2H3;2-9,15-16,18,20H,10-12H2,1H3;4-7,11-12,15-16,18,20H,8-10H2,1-3H3;3-8,11,16-19H,9-10,12H2,1-2H3;4-7,10,15-17,19H,3,8-9,11H2,1-2H3;5-6,9,13-14,16-17H,4,7-8,10H2,1-3H3;4*1H/t19?,20-,22?,24+;20-,21-,22?,23?;15-,16-,18?,20?;15-,16-,18?,20+;16-,17-,18?,19?;15-,16-,17?,19+;13-,14-,16?,17?;;;;/m1111111..../s1
InChIKeyOELGSBPSSGXWSL-WCHUYNMKSA-N
MW2665.63 g/mol
LogP34.22
Rot. Bonds18

About 2-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,3-benzothiazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-ethyl-1,2-oxazole;5-[(2S,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole;methyl (3S,5R)-3-(4-ethyl-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-[4-(2-phenylethynyl)phenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate;tetrahydrochloride

2-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,3-benzothiazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-ethyl-1,2-oxazole;5-[(2S,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole;methyl (3S,5R)-3-(4-ethyl-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-[4-(2-phenylethynyl)phenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate;tetrahydrochloride (PubChem CID 157059888) has the molecular formula C146H170Cl8IN11O9S and a molecular weight of 2665.63 g/mol. Its IUPAC name is 2-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,3-benzothiazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-ethyl-1,2-oxazole;5-[(2S,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole;methyl (3S,5R)-3-(4-ethyl-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-[4-(2-phenylethynyl)phenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate;tetrahydrochloride.

Molecular Properties

Compound Name2-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,3-benzothiazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-ethyl-1,2-oxazole;5-[(2S,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole;methyl (3S,5R)-3-(4-ethyl-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-[4-(2-phenylethynyl)phenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate;tetrahydrochloride
PubChem CID157059888
Molecular FormulaC146H170Cl8IN11O9S
Molecular Weight2665.63 g/mol
Exact Mass2659.95
IUPAC Name2-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,3-benzothiazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-ethyl-1,2-oxazole;5-[(2S,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole;methyl (3S,5R)-3-(4-ethyl-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-[4-(2-phenylethynyl)phenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate;tetrahydrochloride
SMILESCC(C)c1cc([C@@H]2C3CC[C@H](C[C@@H]2c2ccc(Cl)cc2)N3C)on1.CCc1cc([C@@H]2C3CC[C@H](C[C@@H]2c2ccc(Cl)cc2)N3C)on1.CCc1ccc([C@H]2C[C@H]3CCC(C2C(=O)OC)N3C)cc1I.CN1C2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)C2c1nc2ccccc2s1.COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C#Cc3ccccc3)cc1)N2C.COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc3ccccc3c1)N2C.Cc1ccc(-c2cc([C@@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)on2)cc1.Cl.Cl.Cl.Cl
InChIInChI=1S/C24H25ClN2O.C24H25NO2.C21H21ClN2S.C20H25ClN2O.C20H23NO2.C19H23ClN2O.C18H24INO2.4ClH/c1-15-3-5-17(6-4-15)21-14-23(28-26-21)24-20(16-7-9-18(25)10-8-16)13-19-11-12-22(24)27(19)2;1-25-20-14-15-22(25)23(24(26)27-2)21(16-20)19-12-10-18(11-13-19)9-8-17-6-4-3-5-7-17;1-24-15-10-11-18(24)20(16(12-15)13-6-8-14(22)9-7-13)21-23-17-4-2-3-5-19(17)25-21;1-12(2)17-11-19(24-22-17)20-16(13-4-6-14(21)7-5-13)10-15-8-9-18(20)23(15)3;1-21-16-9-10-18(21)19(20(22)23-2)17(12-16)15-8-7-13-5-3-4-6-14(13)11-15;1-3-14-10-18(23-21-14)19-16(12-4-6-13(20)7-5-12)11-15-8-9-17(19)22(15)2;1-4-11-5-6-12(9-15(11)19)14-10-13-7-8-16(20(13)2)17(14)18(21)22-3;;;;/h3-10,14,19-20,22,24H,11-13H2,1-2H3;3-7,10-13,20-23H,14-16H2,1-2H3;2-9,15-16,18,20H,10-12H2,1H3;4-7,11-12,15-16,18,20H,8-10H2,1-3H3;3-8,11,16-19H,9-10,12H2,1-2H3;4-7,10,15-17,19H,3,8-9,11H2,1-2H3;5-6,9,13-14,16-17H,4,7-8,10H2,1-3H3;4*1H/t19?,20-,22?,24+;20-,21-,22?,23?;15-,16-,18?,20?;15-,16-,18?,20+;16-,17-,18?,19?;15-,16-,17?,19+;13-,14-,16?,17?;;;;/m1111111..../s1
InChIKeyOELGSBPSSGXWSL-WCHUYNMKSA-N
XLogP34.22
TPSA192.56 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002665.63
LogP ≤ 534.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,3-benzothiazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-ethyl-1,2-oxazole;5-[(2S,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole;methyl (3S,5R)-3-(4-ethyl-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-[4-(2-phenylethynyl)phenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate;tetrahydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,3-benzothiazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-ethyl-1,2-oxazole;5-[(2S,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole;methyl (3S,5R)-3-(4-ethyl-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-[4-(2-phenylethynyl)phenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate;tetrahydrochloride?
The IUPAC name of 2-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,3-benzothiazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-ethyl-1,2-oxazole;5-[(2S,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole;methyl (3S,5R)-3-(4-ethyl-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-[4-(2-phenylethynyl)phenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate;tetrahydrochloride (CID 157059888) is 2-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,3-benzothiazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-ethyl-1,2-oxazole;5-[(2S,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole;methyl (3S,5R)-3-(4-ethyl-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-[4-(2-phenylethynyl)phenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate;tetrahydrochloride.
What is the SMILES notation for 2-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,3-benzothiazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-ethyl-1,2-oxazole;5-[(2S,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole;methyl (3S,5R)-3-(4-ethyl-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-[4-(2-phenylethynyl)phenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate;tetrahydrochloride?
The canonical SMILES for 2-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,3-benzothiazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-ethyl-1,2-oxazole;5-[(2S,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole;methyl (3S,5R)-3-(4-ethyl-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-[4-(2-phenylethynyl)phenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate;tetrahydrochloride is CC(C)c1cc([C@@H]2C3CC[C@H](C[C@@H]2c2ccc(Cl)cc2)N3C)on1.CCc1cc([C@@H]2C3CC[C@H](C[C@@H]2c2ccc(Cl)cc2)N3C)on1.CCc1ccc([C@H]2C[C@H]3CCC(C2C(=O)OC)N3C)cc1I.CN1C2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)C2c1nc2ccccc2s1.COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C#Cc3ccccc3)cc1)N2C.COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc3ccccc3c1)N2C.Cc1ccc(-c2cc([C@@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)on2)cc1.Cl.Cl.Cl.Cl.
What is the InChIKey of 2-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,3-benzothiazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-ethyl-1,2-oxazole;5-[(2S,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole;methyl (3S,5R)-3-(4-ethyl-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-[4-(2-phenylethynyl)phenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate;tetrahydrochloride?
The InChIKey is OELGSBPSSGXWSL-WCHUYNMKSA-N. The full InChI is InChI=1S/C24H25ClN2O.C24H25NO2.C21H21ClN2S.C20H25ClN2O.C20H23NO2.C19H23ClN2O.C18H24INO2.4ClH/c1-15-3-5-17(6-4-15)21-14-23(28-26-21)24-20(16-7-9-18(25)10-8-16)13-19-11-12-22(24)27(19)2;1-25-20-14-15-22(25)23(24(26)27-2)21(16-20)19-12-10-18(11-13-19)9-8-17-6-4-3-5-7-17;1-24-15-10-11-18(24)20(16(12-15)13-6-8-14(22)9-7-13)21-23-17-4-2-3-5-19(17)25-21;1-12(2)17-11-19(24-22-17)20-16(13-4-6-14(21)7-5-13)10-15-8-9-18(20)23(15)3;1-21-16-9-10-18(21)19(20(22)23-2)17(12-16)15-8-7-13-5-3-4-6-14(13)11-15;1-3-14-10-18(23-21-14)19-16(12-4-6-13(20)7-5-12)11-15-8-9-17(19)22(15)2;1-4-11-5-6-12(9-15(11)19)14-10-13-7-8-16(20(13)2)17(14)18(21)22-3;;;;/h3-10,14,19-20,22,24H,11-13H2,1-2H3;3-7,10-13,20-23H,14-16H2,1-2H3;2-9,15-16,18,20H,10-12H2,1H3;4-7,11-12,15-16,18,20H,8-10H2,1-3H3;3-8,11,16-19H,9-10,12H2,1-2H3;4-7,10,15-17,19H,3,8-9,11H2,1-2H3;5-6,9,13-14,16-17H,4,7-8,10H2,1-3H3;4*1H/t19?,20-,22?,24+;20-,21-,22?,23?;15-,16-,18?,20?;15-,16-,18?,20+;16-,17-,18?,19?;15-,16-,17?,19+;13-,14-,16?,17?;;;;/m1111111..../s1.
What are the key properties of 2-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,3-benzothiazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-ethyl-1,2-oxazole;5-[(2S,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole;methyl (3S,5R)-3-(4-ethyl-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-[4-(2-phenylethynyl)phenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate;tetrahydrochloride?
2-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,3-benzothiazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-ethyl-1,2-oxazole;5-[(2S,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole;methyl (3S,5R)-3-(4-ethyl-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-[4-(2-phenylethynyl)phenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate;tetrahydrochloride has a molecular weight of 2665.63 g/mol, XLogP of 34.22, 18 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,3-benzothiazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-ethyl-1,2-oxazole;5-[(2S,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole;5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole;methyl (3S,5R)-3-(4-ethyl-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (3S,5R)-8-methyl-3-[4-(2-phenylethynyl)phenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate;tetrahydrochloride is sourced from PubChem (CID 157059888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).