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87540-64-5 | 1,2,4-Triazolo[3,4-a]phthalazine,6-(ethylthio)-3-phenyl-
CAS No: 87540-64-5 Catalog No: AG004EZU MDL No:
Product Description
Catalog Number:
AG004EZU
Chemical Name:
1,2,4-Triazolo[3,4-a]phthalazine,6-(ethylthio)-3-phenyl-
CAS Number:
87540-64-5
Molecular Formula:
C17H14N4S
Molecular Weight:
306.3849
IUPAC Name:
6-ethylsulfanyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
InChI:
InChI=1S/C17H14N4S/c1-2-22-17-14-11-7-6-10-13(14)16-19-18-15(21(16)20-17)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChI Key:
RHROWHMFWYLYLZ-UHFFFAOYSA-N
SMILES:
CCSc1nn2c(nnc2c2c1cccc2)c1ccccc1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.094g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.387g/mol
Monoisotopic Mass:
306.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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