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857532-44-6 | Piperazine, 1-[(3,4-dichlorophenyl)[4-(1H-pyrazol-4-yl)phenyl]methyl]-
CAS No: 857532-44-6 Catalog No: AG004Y82 MDL No:
Product Description
Catalog Number:
AG004Y82
Chemical Name:
Piperazine, 1-[(3,4-dichlorophenyl)[4-(1H-pyrazol-4-yl)phenyl]methyl]-
CAS Number:
857532-44-6
Molecular Formula:
C20H20Cl2N4
Molecular Weight:
387.3056
IUPAC Name:
1-[(3,4-dichlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine
InChI:
InChI=1S/C20H20Cl2N4/c21-18-6-5-16(11-19(18)22)20(26-9-7-23-8-10-26)15-3-1-14(2-4-15)17-12-24-25-13-17/h1-6,11-13,20,23H,7-10H2,(H,24,25)
InChI Key:
SSRZUATVJOAMJJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1Cl)C(c1ccc(cc1)c1c[nH]nc1)N1CCNCC1
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.107g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
387.308g/mol
Monoisotopic Mass:
386.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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