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87992-23-2 | 1,2,4-Triazine, 5-(4-fluorophenyl)-3-[[2-(1-pyrrolidinyl)ethyl]thio]-
CAS No: 87992-23-2 Catalog No: AG004O9W MDL No:
Product Description
Catalog Number:
AG004O9W
Chemical Name:
1,2,4-Triazine, 5-(4-fluorophenyl)-3-[[2-(1-pyrrolidinyl)ethyl]thio]-
CAS Number:
87992-23-2
Molecular Formula:
C15H17FN4S
Molecular Weight:
304.3857
IUPAC Name:
5-(4-fluorophenyl)-3-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazine
InChI:
InChI=1S/C15H17FN4S/c16-13-5-3-12(4-6-13)14-11-17-19-15(18-14)21-10-9-20-7-1-2-8-20/h3-6,11H,1-2,7-10H2
InChI Key:
KSOCGHIBLHRAHX-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1cnnc(n1)SCCN1CCCC1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.387g/mol
Monoisotopic Mass:
304.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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