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87992-26-5 | 1,2,4-Triazine, 5-(3-chloro-4-fluorophenyl)-3-[[2-(1-piperidinyl)ethyl]thio]-
CAS No: 87992-26-5 Catalog No: AG004L5Z MDL No:
Product Description
Catalog Number:
AG004L5Z
Chemical Name:
1,2,4-Triazine, 5-(3-chloro-4-fluorophenyl)-3-[[2-(1-piperidinyl)ethyl]thio]-
CAS Number:
87992-26-5
Molecular Formula:
C16H18ClFN4S
Molecular Weight:
352.8573
IUPAC Name:
5-(3-chloro-4-fluorophenyl)-3-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazine
InChI:
InChI=1S/C16H18ClFN4S/c17-13-10-12(4-5-14(13)18)15-11-19-21-16(20-15)23-9-8-22-6-2-1-3-7-22/h4-5,10-11H,1-3,6-9H2
InChI Key:
NPABSXXVMAQZST-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1Cl)c1cnnc(n1)SCCN1CCCCC1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.092g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.856g/mol
Monoisotopic Mass:
352.092g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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