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832103-00-1 | Benzo[b]thiophen-5-amine, 2-[(4-phenyl-1-piperazinyl)methyl]-
CAS No: 832103-00-1 Catalog No: AG004UZ8 MDL No:
Product Description
Catalog Number:
AG004UZ8
Chemical Name:
Benzo[b]thiophen-5-amine, 2-[(4-phenyl-1-piperazinyl)methyl]-
CAS Number:
832103-00-1
Molecular Formula:
C19H21N3S
Molecular Weight:
323.4551
IUPAC Name:
2-[(4-phenylpiperazin-1-yl)methyl]-1-benzothiophen-5-amine
InChI:
InChI=1S/C19H21N3S/c20-16-6-7-19-15(12-16)13-18(23-19)14-21-8-10-22(11-9-21)17-4-2-1-3-5-17/h1-7,12-13H,8-11,14,20H2
InChI Key:
WSZQNEFKZKGHJD-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)cc(s2)CN1CCN(CC1)c1ccccc1
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.146g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.458g/mol
Monoisotopic Mass:
323.146g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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