Home Other Building Blocks 4-(2,6-dimethylphenyl)-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

4-(2,6-dimethylphenyl)-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

CAS No.:
568570-14-9
Catalog Number:
AG019IDC
Molecular Formula:
C17H14N4OS
Molecular Weight:
322.3843
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Product Description
Catalog Number:
AG019IDC
Chemical Name:
4-(2,6-dimethylphenyl)-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CAS Number:
568570-14-9
Molecular Formula:
C17H14N4OS
Molecular Weight:
322.3843
MDL Number:
MFCD04606964
IUPAC Name:
4-(2,6-dimethylphenyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
InChI:
InChI=1S/C17H14N4OS/c1-10-6-5-7-11(2)14(10)21-15(22)12-8-3-4-9-13(12)20-16(21)18-19-17(20)23/h3-9H,1-2H3,(H,19,23)
InChI Key:
SVCJVVHQEWDNOQ-UHFFFAOYSA-N
SMILES:
O=c1n(c2c(C)cccc2C)c2nnc(n2c2c1cccc2)S
Properties
Complexity:
553  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.089g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
322.386g/mol
Monoisotopic Mass:
322.089g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties