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89007-49-8 | 1-Piperazinecarbothioamide, N-(4-fluorophenyl)-4-pyrazinyl-
CAS No: 89007-49-8 Catalog No: AG004614 MDL No:
Product Description
Catalog Number:
AG004614
Chemical Name:
1-Piperazinecarbothioamide, N-(4-fluorophenyl)-4-pyrazinyl-
CAS Number:
89007-49-8
Molecular Formula:
C15H16FN5S
Molecular Weight:
317.3844
IUPAC Name:
N-(4-fluorophenyl)-4-pyrazin-2-ylpiperazine-1-carbothioamide
InChI:
InChI=1S/C15H16FN5S/c16-12-1-3-13(4-2-12)19-15(22)21-9-7-20(8-10-21)14-11-17-5-6-18-14/h1-6,11H,7-10H2,(H,19,22)
InChI Key:
PQJPCIBYBVNACB-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)NC(=S)N1CCN(CC1)c1cnccn1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.386g/mol
Monoisotopic Mass:
317.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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