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304854-36-2 | 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-(3-methoxyphenyl)-4,4-dimethyl-
CAS No: 304854-36-2 Catalog No: AG0030B2 MDL No:
Product Description
Catalog Number:
AG0030B2
Chemical Name:
2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-(3-methoxyphenyl)-4,4-dimethyl-
CAS Number:
304854-36-2
Molecular Formula:
C17H17NO3
Molecular Weight:
283.3218
IUPAC Name:
6-(3-methoxyphenyl)-4,4-dimethyl-1H-3,1-benzoxazin-2-one
InChI:
InChI=1S/C17H17NO3/c1-17(2)14-10-12(7-8-15(14)18-16(19)21-17)11-5-4-6-13(9-11)20-3/h4-10H,1-3H3,(H,18,19)
InChI Key:
XCKPZLTYDJLOFR-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1ccc2c(c1)C(C)(C)OC(=O)N2
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.327g/mol
Monoisotopic Mass:
283.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| 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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