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86628-12-8 | 6-(4-Chloro-phenyl)-3-pentyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CAS No: 86628-12-8 Catalog No: AG004OZU MDL No:
Product Description
Catalog Number:
AG004OZU
Chemical Name:
6-(4-Chloro-phenyl)-3-pentyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CAS Number:
86628-12-8
Molecular Formula:
C15H17ClN4S
Molecular Weight:
320.8403
IUPAC Name:
6-(4-chlorophenyl)-3-pentyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
InChI:
InChI=1S/C15H17ClN4S/c1-2-3-4-5-14-17-18-15-20(14)19-13(10-21-15)11-6-8-12(16)9-7-11/h6-9H,2-5,10H2,1H3
InChI Key:
OAOFIXBZYWKFEB-UHFFFAOYSA-N
SMILES:
CCCCCc1nnc2n1N=C(CS2)c1ccc(cc1)Cl
NSC Number:
373436
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.086g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.839g/mol
Monoisotopic Mass:
320.086g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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