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87992-22-1 | 1,2,4-Triazine, 5-(4-fluorophenyl)-3-[[2-(1-piperidinyl)ethyl]thio]-
CAS No: 87992-22-1 Catalog No: AG004L60 MDL No:
Product Description
Catalog Number:
AG004L60
Chemical Name:
1,2,4-Triazine, 5-(4-fluorophenyl)-3-[[2-(1-piperidinyl)ethyl]thio]-
CAS Number:
87992-22-1
Molecular Formula:
C16H19FN4S
Molecular Weight:
318.4123
IUPAC Name:
5-(4-fluorophenyl)-3-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazine
InChI:
InChI=1S/C16H19FN4S/c17-14-6-4-13(5-7-14)15-12-18-20-16(19-15)22-11-10-21-8-2-1-3-9-21/h4-7,12H,1-3,8-11H2
InChI Key:
XJZVWTRUDKCNGI-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1cnnc(n1)SCCN1CCCCC1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.131g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.414g/mol
Monoisotopic Mass:
318.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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