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1000793-42-9 | Thiazolo[5,4-c]pyridin-4(5H)-one, 2-(6-bromo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-6,7-dihydro-6,6-dimethyl-
CAS No: 1000793-42-9 Catalog No: AG0000U9 MDL No:MFCD22419410
Product Description
Catalog Number:
AG0000U9
Chemical Name:
Thiazolo[5,4-c]pyridin-4(5H)-one, 2-(6-bromo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-6,7-dihydro-6,6-dimethyl-
CAS Number:
1000793-42-9
Molecular Formula:
C16H16BrN3O2S
Molecular Weight:
394.2861
MDL Number:
MFCD22419410
IUPAC Name:
2-(6-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
InChI:
InChI=1S/C16H16BrN3O2S/c1-16(2)8-10-13(14(21)19-16)23-15(18-10)20-5-6-22-12-4-3-9(17)7-11(12)20/h3-4,7H,5-6,8H2,1-2H3,(H,19,21)
InChI Key:
HPDNQXLEZHOICG-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)N(CCO2)c1nc2c(s1)C(=O)NC(C2)(C)C
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.015g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
394.287g/mol
Monoisotopic Mass:
393.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Achieving multi-isoform PI3K inhibition in a series of substituted 3,4-dihydro-2H-benzo[1,4]oxazines. | Bioorganic & medicinal chemistry letters 20080815 |
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