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161364-73-4 | 1,3-Propanedione, 1-[2-[(2-methoxyphenoxy)methyl]-3-thiazolidinyl]-3-(4-methyl-1-piperazinyl)-
CAS No: 161364-73-4 Catalog No: AG001SEO MDL No:
Product Description
Catalog Number:
AG001SEO
Chemical Name:
1,3-Propanedione, 1-[2-[(2-methoxyphenoxy)methyl]-3-thiazolidinyl]-3-(4-methyl-1-piperazinyl)-
CAS Number:
161364-73-4
Molecular Formula:
C19H27N3O4S
Molecular Weight:
393.5004
IUPAC Name:
1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-3-(4-methylpiperazin-1-yl)propane-1,3-dione
InChI:
InChI=1S/C19H27N3O4S/c1-20-7-9-21(10-8-20)17(23)13-18(24)22-11-12-27-19(22)14-26-16-6-4-3-5-15(16)25-2/h3-6,19H,7-14H2,1-2H3
InChI Key:
GLXZJJACNCEAGB-UHFFFAOYSA-N
SMILES:
COc1ccccc1OCC1SCCN1C(=O)CC(=O)N1CCN(CC1)C
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.172g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.502g/mol
Monoisotopic Mass:
393.172g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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