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73553-64-7 | Piperazine,1-[4-[(3-chlorophenyl)methyl]-2-thiazolyl]-, hydrochloride (1:2)
CAS No: 73553-64-7 Catalog No: AG005D1Z MDL No:
Product Description
Catalog Number:
AG005D1Z
Chemical Name:
Piperazine,1-[4-[(3-chlorophenyl)methyl]-2-thiazolyl]-, hydrochloride (1:2)
CAS Number:
73553-64-7
Molecular Formula:
C14H18Cl3N3S
Molecular Weight:
366.7368
IUPAC Name:
4-[(3-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride
InChI:
InChI=1S/C14H16ClN3S.2ClH/c15-12-3-1-2-11(8-12)9-13-10-19-14(17-13)18-6-4-16-5-7-18;;/h1-3,8,10,16H,4-7,9H2;2*1H
InChI Key:
NKJPRAXIIKZVKD-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)Cc1csc(n1)N1CCNCC1.Cl.Cl
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.029g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
366.729g/mol
Monoisotopic Mass:
365.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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