1-(2-{[2-(3,4-Diethoxyphenyl)ethyl]amino}-4-methyl-1,3-thiazol-5-yl)ethan-1-one hydrochloride - CAS 1431962-18-3
Catalog: |
BB049142 |
Product Name: |
1-(2-{[2-(3,4-Diethoxyphenyl)ethyl]amino}-4-methyl-1,3-thiazol-5-yl)ethan-1-one hydrochloride |
CAS: |
1431962-18-3 |
Synonyms: |
Ethanone, 1-[2-[[2-(3,4-diethoxyphenyl)ethyl]amino]-4-methyl-5-thiazolyl]-, hydrochloride (1:1); 1-{2-[2-(3,4-Diethoxy-phenyl)-ethylamino]-4-methyl-thiazol-5-yl}-ethanone hydrochloride |
Related CAS: | 938022-38-9 (free base)
|
IUPAC Name: | 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride |
Description: | 1-(2-{[2-(3,4-Diethoxyphenyl)ethyl]amino}-4-methyl-1,3-thiazol-5-yl)ethan-1-one hydrochloride (CAS# 1431962-18-3 ) is a useful research chemical. |
Molecular Weight: | 384.92 |
Molecular Formula: | C18H25ClN2O3S |
Canonical SMILES: | CCOC1=C(C=C(C=C1)CCNC2=NC(=C(S2)C(=O)C)C)OCC.Cl |
InChI: | InChI=1S/C18H24N2O3S.ClH/c1-5-22-15-8-7-14(11-16(15)23-6-2)9-10-19-18-20-12(3)17(24-18)13(4)21;/h7-8,11H,5-6,9-10H2,1-4H3,(H,19,20);1H |
InChI Key: | LLEVKWLORYYDTM-UHFFFAOYSA-N |
Complexity: | 397 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 384.1274415 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 384.1274415 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 88.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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