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Home > Indoles and Oxindole > 155288-46-3
155288-46-3 | 1H-Isoindol-1-one, 2-[4-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]butyl]-2,3-dihydro-
CAS No: 155288-46-3 Catalog No: AG001NT1 MDL No:
Product Description
Catalog Number:
AG001NT1
Chemical Name:
1H-Isoindol-1-one, 2-[4-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]butyl]-2,3-dihydro-
CAS Number:
155288-46-3
Molecular Formula:
C23H26N4OS
Molecular Weight:
406.5437
IUPAC Name:
2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3H-isoindol-1-one
InChI:
InChI=1S/C23H26N4OS/c28-23-19-8-2-1-7-18(19)17-27(23)12-6-5-11-25-13-15-26(16-14-25)22-20-9-3-4-10-21(20)29-24-22/h1-4,7-10H,5-6,11-17H2
InChI Key:
ZPAUMFOJNAADJN-UHFFFAOYSA-N
SMILES:
O=C1N(CCCCN2CCN(CC2)c2nsc3c2cccc3)Cc2c1cccc2
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.183g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.548g/mol
Monoisotopic Mass:
406.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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