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727975-76-0 | 3-Piperazin-1-ylmethyl-2-p-tolyl-benzo[d]imidazo-[2,1-b]thiazole
CAS No: 727975-76-0 Catalog No: AG01EX64 MDL No:
Product Description
Catalog Number:
AG01EX64
Chemical Name:
3-Piperazin-1-ylmethyl-2-p-tolyl-benzo[d]imidazo-[2,1-b]thiazole
CAS Number:
727975-76-0
Molecular Formula:
C21H22N4S
Molecular Weight:
362.4912
IUPAC Name:
2-(4-methylphenyl)-1-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]benzothiazole
InChI:
InChI=1S/C21H22N4S/c1-15-6-8-16(9-7-15)20-18(14-24-12-10-22-11-13-24)25-17-4-2-3-5-19(17)26-21(25)23-20/h2-9,22H,10-14H2,1H3
InChI Key:
AKEBTSZCPNFFQI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nc2n(c1CN1CCNCC1)c1c(s2)cccc1
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.157g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.495g/mol
Monoisotopic Mass:
362.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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