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Home > Imidazoles > 164523-35-7
164523-35-7 | 1,2-Benzisothiazole, 3-[4-[4-(1H-benzimidazol-1-yl)butyl]-1-piperazinyl]-
CAS No: 164523-35-7 Catalog No: AG007VFD MDL No:
Product Description
Catalog Number:
AG007VFD
Chemical Name:
1,2-Benzisothiazole, 3-[4-[4-(1H-benzimidazol-1-yl)butyl]-1-piperazinyl]-
CAS Number:
164523-35-7
Molecular Formula:
C22H25N5S
Molecular Weight:
391.5324
IUPAC Name:
3-[4-[4-(benzimidazol-1-yl)butyl]piperazin-1-yl]-1,2-benzothiazole
InChI:
InChI=1S/C22H25N5S/c1-4-10-21-18(7-1)22(24-28-21)26-15-13-25(14-16-26)11-5-6-12-27-17-23-19-8-2-3-9-20(19)27/h1-4,7-10,17H,5-6,11-16H2
InChI Key:
AQBFHDHZHQPHQU-UHFFFAOYSA-N
SMILES:
C(CN1CCN(CC1)c1nsc2c1cccc2)CCn1cnc2c1cccc2
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.183g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.537g/mol
Monoisotopic Mass:
391.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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