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1956325-37-3 | 3,4,5-Trimethoxy-N-(2-(3-(piperazin-1-ylmethyl)imidazo[2,1-b]thiazol-6-yl)phenyl)benzamide hydrochloride
CAS No: 1956325-37-3 Catalog No: AG019FYG MDL No:
Product Description
Catalog Number:
AG019FYG
Chemical Name:
3,4,5-Trimethoxy-N-(2-(3-(piperazin-1-ylmethyl)imidazo[2,1-b]thiazol-6-yl)phenyl)benzamide hydrochloride
CAS Number:
1956325-37-3
Molecular Formula:
C26H30ClN5O4S
Molecular Weight:
544.0655
IUPAC Name:
3,4,5-trimethoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;hydrochloride
InChI:
InChI=1S/C26H29N5O4S.ClH/c1-33-22-12-17(13-23(34-2)24(22)35-3)25(32)28-20-7-5-4-6-19(20)21-15-31-18(16-36-26(31)29-21)14-30-10-8-27-9-11-30;/h4-7,12-13,15-16,27H,8-11,14H2,1-3H3,(H,28,32);1H
InChI Key:
DXWPPMYCFMXSSW-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C(=O)Nc1ccccc1c1cn2c(n1)scc2CN1CCNCC1.Cl
Properties
Complexity:
714
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
543.171g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
544.067g/mol
Monoisotopic Mass:
543.171g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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