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497060-96-5 | N-(4-cyanophenyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide
CAS No: 497060-96-5 Catalog No: AG00J05P MDL No:MFCD02662170
Product Description
Catalog Number:
AG00J05P
Chemical Name:
N-(4-cyanophenyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide
CAS Number:
497060-96-5
Molecular Formula:
C17H17N5S
Molecular Weight:
323.4154
MDL Number:
MFCD02662170
IUPAC Name:
N-(4-cyanophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide
InChI:
InChI=1S/C17H17N5S/c18-13-14-4-6-15(7-5-14)20-17(23)22-11-9-21(10-12-22)16-3-1-2-8-19-16/h1-8H,9-12H2,(H,20,23)
InChI Key:
CHVPSHZWHRALFS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)NC(=S)N1CCN(CC1)c1ccccn1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.12g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.418g/mol
Monoisotopic Mass:
323.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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