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860344-62-3 | Benzoic acid, 4-[2-(4-piperidinyl)-4-thiazolyl]-
CAS No: 860344-62-3 Catalog No: AG004V1F MDL No:
Product Description
Catalog Number:
AG004V1F
Chemical Name:
Benzoic acid, 4-[2-(4-piperidinyl)-4-thiazolyl]-
CAS Number:
860344-62-3
Molecular Formula:
C15H16N2O2S
Molecular Weight:
288.3647
IUPAC Name:
4-(2-piperidin-4-yl-1,3-thiazol-4-yl)benzoic acid
InChI:
InChI=1S/C15H16N2O2S/c18-15(19)12-3-1-10(2-4-12)13-9-20-14(17-13)11-5-7-16-8-6-11/h1-4,9,11,16H,5-8H2,(H,18,19)
InChI Key:
MDUZYUPCNVOIEG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1csc(n1)C1CCNCC1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.093g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.365g/mol
Monoisotopic Mass:
288.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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