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454230-46-7 | N-benzyl-4-(pyridin-2-yl)piperazine-1-carbothioamide
CAS No: 454230-46-7 Catalog No: AG00ITJ2 MDL No:MFCD02662144
Product Description
Catalog Number:
AG00ITJ2
Chemical Name:
N-benzyl-4-(pyridin-2-yl)piperazine-1-carbothioamide
CAS Number:
454230-46-7
Molecular Formula:
C17H20N4S
Molecular Weight:
312.4325
MDL Number:
MFCD02662144
IUPAC Name:
N-benzyl-4-pyridin-2-ylpiperazine-1-carbothioamide
InChI:
InChI=1S/C17H20N4S/c22-17(19-14-15-6-2-1-3-7-15)21-12-10-20(11-13-21)16-8-4-5-9-18-16/h1-9H,10-14H2,(H,19,22)
InChI Key:
KGXMDSNLIPNQHY-UHFFFAOYSA-N
SMILES:
S=C(N1CCN(CC1)c1ccccn1)NCc1ccccc1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.141g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.435g/mol
Monoisotopic Mass:
312.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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