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198056-29-0 | 2(3H)-Benzothiazolone, 6-(1-oxopropyl)-3-[3-(1-piperidinyl)propyl]-
CAS No: 198056-29-0 Catalog No: AG002B8L MDL No:
Product Description
Catalog Number:
AG002B8L
Chemical Name:
2(3H)-Benzothiazolone, 6-(1-oxopropyl)-3-[3-(1-piperidinyl)propyl]-
CAS Number:
198056-29-0
Molecular Formula:
C18H24N2O2S
Molecular Weight:
332.4604
IUPAC Name:
3-(3-piperidin-1-ylpropyl)-6-propanoyl-1,3-benzothiazol-2-one
InChI:
InChI=1S/C18H24N2O2S/c1-2-16(21)14-7-8-15-17(13-14)23-18(22)20(15)12-6-11-19-9-4-3-5-10-19/h7-8,13H,2-6,9-12H2,1H3
InChI Key:
UOTVBAFVZJPADP-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc2c(c1)sc(=O)n2CCCN1CCCCC1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.156g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.462g/mol
Monoisotopic Mass:
332.156g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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