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89007-36-3 | Piperazine, 1-[(2-methylphenyl)acetyl]-4-(2-thiazolyl)-
CAS No: 89007-36-3 Catalog No: AG0044ZO MDL No:
Product Description
Catalog Number:
AG0044ZO
Chemical Name:
Piperazine, 1-[(2-methylphenyl)acetyl]-4-(2-thiazolyl)-
CAS Number:
89007-36-3
Molecular Formula:
C16H19N3OS
Molecular Weight:
301.4066
IUPAC Name:
2-(2-methylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
InChI:
InChI=1S/C16H19N3OS/c1-13-4-2-3-5-14(13)12-15(20)18-7-9-19(10-8-18)16-17-6-11-21-16/h2-6,11H,7-10,12H2,1H3
InChI Key:
XKYLLCFCGPFMBM-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1nccs1)Cc1ccccc1C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.125g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.408g/mol
Monoisotopic Mass:
301.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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