RefChem:1076083
bis((8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-2-(4-chlorophenyl)-3-thiophen-2-ylprop-2-enoate);hydrate;dihydrochloride
Also Known As: C21H22ClNO2S.ClH.1/2H2O|C21-H22-Cl-N-O2-S.Cl-H.1/2H2-O|2-(p-Chlorophenyl)-3-(2-thienyl)acrylic acid 3-tropanyl ester hydrochloride hemihydrate|Acrylic acid, 2-(p-chlorophenyl)-3-(2-thienyl)-, 3-tropanyl ester, hydrochloride, hemihydrate|(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-2-(4-chlorophenyl)-3-thiophen-2-ylprop-2-enoate hydrate dihydrochloride|Benzeneacetic acid, 4-chloro-.alpha.-(2-thienylmethylene)-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrochloride, hemihydrate
| Molecular Formula | C42H48Cl4N2O5S2 |
|---|---|
| Molecular Weight | 864.1759 g/mol |
| LogP | 10.2399 |
| Topological Polar Surface Area | 90.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 864.1759 |
| Monoisotopic Mass | 866.1729 |
| Heavy Atoms | 55 |
| Complexity | 1721.5491 |
Chemical Identifiers
| CAS Number | 66922-75-6 |
|---|---|
| SMILES | CN1C2CC(CC1CC2)OC(=O)/C(=C\C3=CC=CS3)/C4=CC=C(C=C4)Cl.CN1C2CC(CC1CC2)OC(=O)/C(=C\C3=CC=CS3)/C4=CC=C(C=C4)Cl.O.Cl.Cl |
Product Overview
RefChem:1076083 (CAS 66922-75-6), with molecular formula C42H48Cl4N2O5S2 and molecular weight 864.1759 g/mol. IUPAC: bis((8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-2-(4-chlorophenyl)-3-thiophen-2-ylprop-2-enoate);hydrate;dihydrochloride.
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