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920009-73-0 | Benzoic acid, 4-[2-(1-piperazinyl)-4-thiazolyl]-
CAS No: 920009-73-0 Catalog No: AG0063NR MDL No:
Product Description
Catalog Number:
AG0063NR
Chemical Name:
Benzoic acid, 4-[2-(1-piperazinyl)-4-thiazolyl]-
CAS Number:
920009-73-0
Molecular Formula:
C14H15N3O2S
Molecular Weight:
289.3528
IUPAC Name:
4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzoic acid
InChI:
InChI=1S/C14H15N3O2S/c18-13(19)11-3-1-10(2-4-11)12-9-20-14(16-12)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2,(H,18,19)
InChI Key:
FCRNDLMHFXSMDD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1csc(n1)N1CCNCC1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.088g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.353g/mol
Monoisotopic Mass:
289.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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