200,000+ products from a single source!
sales@angenechem.com
860344-50-9 | Benzoic acid, 4-[5-methyl-2-(4-methyl-1-piperazinyl)-4-thiazolyl]-
CAS No: 860344-50-9 Catalog No: AG004V1J MDL No:
Product Description
Catalog Number:
AG004V1J
Chemical Name:
Benzoic acid, 4-[5-methyl-2-(4-methyl-1-piperazinyl)-4-thiazolyl]-
CAS Number:
860344-50-9
Molecular Formula:
C16H19N3O2S
Molecular Weight:
317.4060
IUPAC Name:
4-[5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoic acid
InChI:
InChI=1S/C16H19N3O2S/c1-11-14(12-3-5-13(6-4-12)15(20)21)17-16(22-11)19-9-7-18(2)8-10-19/h3-6H,7-10H2,1-2H3,(H,20,21)
InChI Key:
IZOOJDDPLCBCCJ-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1sc(c(n1)c1ccc(cc1)C(=O)O)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.12g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.407g/mol
Monoisotopic Mass:
317.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.