LU 5-045
3-(dimethylamino)propyl 3,3-dimethyl-1H-2-benzothiophene-1-carboxylate;hydrochloride
Also Known As: LU 5-045|1,3-Dihydro-3,3-dimethyl-1-(3-(dimethylamino)propyl)benzo(c)thiophene-1-carboxylic acid HCl|3-(dimethylamino)propyl 3,3-dimethyl-1,3-dihydro-2-benzothiophene-1-carboxylate hydrochloride(1:1)|Benzo(c)thiophene-1-carboxylic acid, 1,3-dihydro-3,3-dimethyl-1-(3-(dimethylamino)propyl)-, hydrochloride|3-(dimethylamino)propyl 3,3-dimethyl-1H-2-benzothiophene-1-carboxylate hydrochloride|3-(Dimethylamino)propyl 3,3-dimethyl-1,3-dihydro-2-benzothiophene-1-carboxylate--hydrogen chloride (1/1)|Benzo[c]thiophene-1-carboxylicacid, 1-[3-(dimethylamino)propyl]-1,3-dihydro-3,3-dimethyl-, hydrochloride(1:1)
| Molecular Formula | C16H24ClNO2S |
|---|---|
| Molecular Weight | 329.12164 g/mol |
| LogP | 3.6263 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.12164 |
| Monoisotopic Mass | 329.12164 |
| Heavy Atoms | 21 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 3143-77-9 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2C(S1)C(=O)OCCCN(C)C)C.Cl |
| InChIKey | LFYIQRKVGXAEAE-UHFFFAOYSA-N |
Product Overview
LU 5-045 (CAS 3143-77-9), with molecular formula C16H24ClNO2S and molecular weight 329.12164 g/mol. IUPAC: 3-(dimethylamino)propyl 3,3-dimethyl-1H-2-benzothiophene-1-carboxylate;hydrochloride.
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