200,000+ products from a single source!
sales@angenechem.com
206193-18-2 | Propanamide, 3-bromo-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-, (2R)-
CAS No: 206193-18-2 Catalog No: AG002AKR MDL No:
Product Description
Catalog Number:
AG002AKR
Chemical Name:
Propanamide, 3-bromo-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-, (2R)-
CAS Number:
206193-18-2
Molecular Formula:
C11H10BrF3N2O4
Molecular Weight:
371.1073
IUPAC Name:
(2R)-3-bromo-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
InChI:
InChI=1S/C11H10BrF3N2O4/c1-10(19,5-12)9(18)16-6-2-3-8(17(20)21)7(4-6)11(13,14)15/h2-4,19H,5H2,1H3,(H,16,18)/t10-/m0/s1
InChI Key:
QDSWNDMHSBZXKX-JTQLQIEISA-N
SMILES:
BrC[C@@](C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])(O)C
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
369.978g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
371.11g/mol
Monoisotopic Mass:
369.978g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Nonsteroidal selective androgen receptor modulators (SARMs): dissociating the anabolic and androgenic activities of the androgen receptor for therapeutic benefit. | Journal of medicinal chemistry 20090625 |
| Three-dimensional structure-activity relationships of nonsteroidal ligands in complex with androgen receptor ligand-binding domain. | Journal of medicinal chemistry 20050224 |
| A ligand-based approach to identify quantitative structure-activity relationships for the androgen receptor. | Journal of medicinal chemistry 20040715 |
| Homology modeling using multiple molecular dynamics simulations and docking studies of the human androgen receptor ligand binding domain bound to testosterone and nonsteroidal ligands. | Journal of medicinal chemistry 20010524 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.