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860343-99-3 | Benzoic acid, 4-[2-[4-(2-methoxyethyl)-1-piperazinyl]-4-thiazolyl]-
CAS No: 860343-99-3 Catalog No: AG004LRW MDL No:
Product Description
Catalog Number:
AG004LRW
Chemical Name:
Benzoic acid, 4-[2-[4-(2-methoxyethyl)-1-piperazinyl]-4-thiazolyl]-
CAS Number:
860343-99-3
Molecular Formula:
C17H21N3O3S
Molecular Weight:
347.4319
IUPAC Name:
4-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazol-4-yl]benzoic acid
InChI:
InChI=1S/C17H21N3O3S/c1-23-11-10-19-6-8-20(9-7-19)17-18-15(12-24-17)13-2-4-14(5-3-13)16(21)22/h2-5,12H,6-11H2,1H3,(H,21,22)
InChI Key:
AECPLWYYFCBDJC-UHFFFAOYSA-N
SMILES:
COCCN1CCN(CC1)c1scc(n1)c1ccc(cc1)C(=O)O
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.13g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.433g/mol
Monoisotopic Mass:
347.13g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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