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82828-62-4 | 2-Methyl-5H-benzo(g)-1,3,4-thiadiazolo(2,3-b)quinazolin-5-one
CAS No: 82828-62-4 Catalog No: AG004WXW MDL No:
Product Description
Catalog Number:
AG004WXW
Chemical Name:
2-Methyl-5H-benzo(g)-1,3,4-thiadiazolo(2,3-b)quinazolin-5-one
CAS Number:
82828-62-4
Molecular Formula:
C14H9N3OS
Molecular Weight:
267.3058
IUPAC Name:
14-methyl-13-thia-11,15,16-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,11,14-heptaen-17-one
InChI:
InChI=1S/C14H9N3OS/c1-8-16-17-13(18)11-6-9-4-2-3-5-10(9)7-12(11)15-14(17)19-8/h2-7H,1H3
InChI Key:
QSPWQNWCPDPOGK-UHFFFAOYSA-N
SMILES:
Cc1nn2c(s1)nc1c(c2=O)cc2c(c1)cccc2
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.047g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.306g/mol
Monoisotopic Mass:
267.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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