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15788-42-8 | 4(5H)-Thiazolone, 5-(phenylmethylene)-2-(1-piperidinyl)-
CAS No: 15788-42-8 Catalog No: AG001PSV MDL No:
Product Description
Catalog Number:
AG001PSV
Chemical Name:
4(5H)-Thiazolone, 5-(phenylmethylene)-2-(1-piperidinyl)-
CAS Number:
15788-42-8
Molecular Formula:
C15H16N2OS
Molecular Weight:
272.3653
IUPAC Name:
5-benzylidene-2-piperidin-1-yl-1,3-thiazol-4-one
InChI:
InChI=1S/C15H16N2OS/c18-14-13(11-12-7-3-1-4-8-12)19-15(16-14)17-9-5-2-6-10-17/h1,3-4,7-8,11H,2,5-6,9-10H2
InChI Key:
MMGHNCMUHOPXJY-UHFFFAOYSA-N
SMILES:
O=C1N=C(SC1=Cc1ccccc1)N1CCCCC1
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.366g/mol
Monoisotopic Mass:
272.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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