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15788-48-4 | 4(5H)-Thiazolone, 5-[(4-chlorophenyl)methylene]-2-(1-piperidinyl)-
CAS No: 15788-48-4 Catalog No: AG001PSU MDL No:
Product Description
Catalog Number:
AG001PSU
Chemical Name:
4(5H)-Thiazolone, 5-[(4-chlorophenyl)methylene]-2-(1-piperidinyl)-
CAS Number:
15788-48-4
Molecular Formula:
C15H15ClN2OS
Molecular Weight:
306.8104
IUPAC Name:
5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
InChI:
InChI=1S/C15H15ClN2OS/c16-12-6-4-11(5-7-12)10-13-14(19)17-15(20-13)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2
InChI Key:
JREKHXBULNREND-UHFFFAOYSA-N
SMILES:
O=C1N=C(SC1=Cc1ccc(cc1)Cl)N1CCCCC1
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.059g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.808g/mol
Monoisotopic Mass:
306.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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