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832735-69-0 | Piperazine, 1-(3-chlorophenyl)-4-[(2-phenylbenzo[b]thien-3-yl)carbonyl]-
CAS No: 832735-69-0 Catalog No: AG004TAW MDL No:
Product Description
Catalog Number:
AG004TAW
Chemical Name:
Piperazine, 1-(3-chlorophenyl)-4-[(2-phenylbenzo[b]thien-3-yl)carbonyl]-
CAS Number:
832735-69-0
Molecular Formula:
C25H21ClN2OS
Molecular Weight:
432.9650
IUPAC Name:
[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyl-1-benzothiophen-3-yl)methanone
InChI:
InChI=1S/C25H21ClN2OS/c26-19-9-6-10-20(17-19)27-13-15-28(16-14-27)25(29)23-21-11-4-5-12-22(21)30-24(23)18-7-2-1-3-8-18/h1-12,17H,13-16H2
InChI Key:
XMEBPHPISLQAOM-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)N1CCN(CC1)C(=O)c1c(sc2c1cccc2)c1ccccc1
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.106g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
432.966g/mol
Monoisotopic Mass:
432.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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