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294622-47-2 | Benzoic acid, 4-[2-(4-methyl-1-piperazinyl)-4-thiazolyl]-
CAS No: 294622-47-2 Catalog No: AG002YFI MDL No:
Product Description
Catalog Number:
AG002YFI
Chemical Name:
Benzoic acid, 4-[2-(4-methyl-1-piperazinyl)-4-thiazolyl]-
CAS Number:
294622-47-2
Molecular Formula:
C15H17N3O2S
Molecular Weight:
303.3794
IUPAC Name:
4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoic acid
InChI:
InChI=1S/C15H17N3O2S/c1-17-6-8-18(9-7-17)15-16-13(10-21-15)11-2-4-12(5-3-11)14(19)20/h2-5,10H,6-9H2,1H3,(H,19,20)
InChI Key:
NPHPALJCGYEBNO-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1scc(n1)c1ccc(cc1)C(=O)O
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.104g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.38g/mol
Monoisotopic Mass:
303.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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