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82828-69-1 | Benzo[g]quinazolin-4(3H)-one,2-methyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-
CAS No: 82828-69-1 Catalog No: AG004SMP MDL No:
Product Description
Catalog Number:
AG004SMP
Chemical Name:
Benzo[g]quinazolin-4(3H)-one,2-methyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-
CAS Number:
82828-69-1
Molecular Formula:
C21H14N4OS
Molecular Weight:
370.4271
IUPAC Name:
2-methyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)benzo[g]quinazolin-4-one
InChI:
InChI=1S/C21H14N4OS/c1-13-22-18-12-16-10-6-5-9-15(16)11-17(18)20(26)25(13)21-24-23-19(27-21)14-7-3-2-4-8-14/h2-12H,1H3
InChI Key:
NBULKFAMRFTOMS-UHFFFAOYSA-N
SMILES:
Cc1nc2cc3ccccc3cc2c(=O)n1c1nnc(s1)c1ccccc1
Properties
Complexity:
605
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.089g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.43g/mol
Monoisotopic Mass:
370.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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