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87450-81-5 | 4H-Thiazolo[2,3-c][1,2,4]triazin-4-one, 6,7-dihydro-7-methyl-3-phenyl-
CAS No: 87450-81-5 Catalog No: AG008DF7 MDL No:
Product Description
Catalog Number:
AG008DF7
Chemical Name:
4H-Thiazolo[2,3-c][1,2,4]triazin-4-one, 6,7-dihydro-7-methyl-3-phenyl-
CAS Number:
87450-81-5
Molecular Formula:
C12H11N3OS
Molecular Weight:
245.3002
IUPAC Name:
7-methyl-3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
InChI:
InChI=1S/C12H11N3OS/c1-8-7-15-11(16)10(13-14-12(15)17-8)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChI Key:
VYVVIJZHYLKXMB-UHFFFAOYSA-N
SMILES:
CC1Sc2n(C1)c(=O)c(nn2)c1ccccc1
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.3g/mol
Monoisotopic Mass:
245.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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