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913612-71-2 | 7-[3-(4-benzo[b]thiophen-4-yl-piperazin-1-yl)propoxy]-1,2,3,4-tetrahydroquinoline
CAS No: 913612-71-2 Catalog No: AG00H4UZ MDL No:
Product Description
Catalog Number:
AG00H4UZ
Chemical Name:
7-[3-(4-benzo[b]thiophen-4-yl-piperazin-1-yl)propoxy]-1,2,3,4-tetrahydroquinoline
CAS Number:
913612-71-2
IUPAC Name:
7-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C24H29N3OS/c1-5-23(21-9-17-29-24(21)6-1)27-14-12-26(13-15-27)11-3-16-28-20-8-7-19-4-2-10-25-22(19)18-20/h1,5-9,17-18,25H,2-4,10-16H2
InChI Key:
QNNTVDSWWGRBRX-UHFFFAOYSA-N
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.203g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
407.576g/mol
Monoisotopic Mass:
407.203g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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