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860344-63-4 | Benzoic acid, 4-[2-(1-methyl-4-piperidinyl)-4-thiazolyl]-
CAS No: 860344-63-4 Catalog No: AG004LRO MDL No:
Product Description
Catalog Number:
AG004LRO
Chemical Name:
Benzoic acid, 4-[2-(1-methyl-4-piperidinyl)-4-thiazolyl]-
CAS Number:
860344-63-4
Molecular Formula:
C16H18N2O2S
Molecular Weight:
302.3913
IUPAC Name:
4-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]benzoic acid
InChI:
InChI=1S/C16H18N2O2S/c1-18-8-6-12(7-9-18)15-17-14(10-21-15)11-2-4-13(5-3-11)16(19)20/h2-5,10,12H,6-9H2,1H3,(H,19,20)
InChI Key:
YWFGLSUBMHQMHT-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)c1scc(n1)c1ccc(cc1)C(=O)O
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.109g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.392g/mol
Monoisotopic Mass:
302.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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