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138769-24-1 | Tetrazolo[1,5-c]quinazoline, 9-bromo-5-(4-morpholinyl)-
CAS No: 138769-24-1 Catalog No: AG0019I0 MDL No:
Product Description
Catalog Number:
AG0019I0
Chemical Name:
Tetrazolo[1,5-c]quinazoline, 9-bromo-5-(4-morpholinyl)-
CAS Number:
138769-24-1
Molecular Formula:
C12H11BrN6O
Molecular Weight:
335.1593
IUPAC Name:
4-(9-bromotetrazolo[1,5-c]quinazolin-5-yl)morpholine
InChI:
InChI=1S/C12H11BrN6O/c13-8-1-2-10-9(7-8)11-15-16-17-19(11)12(14-10)18-3-5-20-6-4-18/h1-2,7H,3-6H2
InChI Key:
NRPFFHSZVHJJJP-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c1nnnn1c(n2)N1CCOCC1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.018g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.165g/mol
Monoisotopic Mass:
334.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Cytotoxic and genotoxic effects of some substituted tetrazolo[1,5-c]quinazolines. | Neoplasma 20040101 |
| Induction of cytotoxicity and ssDNA breaks by 9-bromo-5-morpholino-tetrazolo[1,5-c]quinazoline in tumor cells cultured in vitro. | Toxicology in vitro : an international journal published in association with BIBRA 20030801 |
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