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87992-21-0 | 1,2,4-Triazine, 5-(4-fluorophenyl)-3-[[2-(4-morpholinyl)ethyl]thio]-
CAS No: 87992-21-0 Catalog No: AG004L61 MDL No:
Product Description
Catalog Number:
AG004L61
Chemical Name:
1,2,4-Triazine, 5-(4-fluorophenyl)-3-[[2-(4-morpholinyl)ethyl]thio]-
CAS Number:
87992-21-0
Molecular Formula:
C15H17FN4OS
Molecular Weight:
320.3851
IUPAC Name:
4-[2-[[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]sulfanyl]ethyl]morpholine
InChI:
InChI=1S/C15H17FN4OS/c16-13-3-1-12(2-4-13)14-11-17-19-15(18-14)22-10-7-20-5-8-21-9-6-20/h1-4,11H,5-10H2
InChI Key:
FRTHICJRCLABPD-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1cnnc(n1)SCCN1CCOCC1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.386g/mol
Monoisotopic Mass:
320.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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