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304853-36-9 | Benzonitrile, 3-(1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)-
CAS No: 304853-36-9 Catalog No: AG0030A1 MDL No:
Product Description
Catalog Number:
AG0030A1
Chemical Name:
Benzonitrile, 3-(1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)-
CAS Number:
304853-36-9
Molecular Formula:
C17H14N2O2
Molecular Weight:
278.3053
IUPAC Name:
3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)benzonitrile
InChI:
InChI=1S/C17H14N2O2/c1-17(2)14-9-13(6-7-15(14)19-16(20)21-17)12-5-3-4-11(8-12)10-18/h3-9H,1-2H3,(H,19,20)
InChI Key:
HVXMMYUSBANZAI-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1ccc2c(c1)C(C)(C)OC(=O)N2
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.311g/mol
Monoisotopic Mass:
278.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Novel pyrrole-containing progesterone receptor modulators. | Bioorganic & medicinal chemistry letters 20040503 |
| 6-Aryl-1,4-dihydro-benzo[d][1,3]oxazin- 2-ones: a novel class of potent, selective, and orally active nonsteroidal progesterone receptor antagonists. | Journal of medicinal chemistry 20020926 |
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