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1052542-76-3 | 1-{4-ethoxy-3-[(2-imino-2,3-dihydro-1,3-thiazol-3-yl)methyl]phenyl}ethan-1-one hydrochloride
CAS No: 1052542-76-3 Catalog No: AG019ODT MDL No:MFCD07312590
Product Description
Catalog Number:
AG019ODT
Chemical Name:
1-{4-ethoxy-3-[(2-imino-2,3-dihydro-1,3-thiazol-3-yl)methyl]phenyl}ethan-1-one hydrochloride
CAS Number:
1052542-76-3
Molecular Formula:
C14H17ClN2O2S
Molecular Weight:
312.8150
MDL Number:
MFCD07312590
IUPAC Name:
1-[4-ethoxy-3-[(2-imino-1,3-thiazol-3-yl)methyl]phenyl]ethanone;hydrochloride
InChI:
InChI=1S/C14H16N2O2S.ClH/c1-3-18-13-5-4-11(10(2)17)8-12(13)9-16-6-7-19-14(16)15;/h4-8,15H,3,9H2,1-2H3;1H
InChI Key:
FLKGFYQKDZFRNF-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1Cn1ccsc1=N)C(=O)C.Cl
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.07g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.812g/mol
Monoisotopic Mass:
312.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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