200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 863680-45-9
863680-45-9 | GSK598809
CAS No: 863680-45-9 Catalog No: AG01FNPW MDL No:
Product Description
Catalog Number:
AG01FNPW
Chemical Name:
GSK598809
CAS Number:
863680-45-9
Molecular Formula:
C22H23F4N5OS
Molecular Weight:
481.5095
IUPAC Name:
5-[5-[3-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole
InChI:
InChI=1S/C22H23F4N5OS/c1-13-18(32-12-27-13)19-28-29-20(30(19)2)33-7-3-6-31-10-15-9-21(15,11-31)16-5-4-14(8-17(16)23)22(24,25)26/h4-5,8,12,15H,3,6-7,9-11H2,1-2H3
InChI Key:
ZKRWPAYTJMRKLJ-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1C12CN(CC2C1)CCCSc1nnc(n1C)c1ocnc1C)C(F)(F)F
Properties
Complexity:
704
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.156g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
481.514g/mol
Monoisotopic Mass:
481.156g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| High-affinity and selective dopamine D₃ receptor full agonists. | Bioorganic & medicinal chemistry letters 20120901 |
| 1,2,4-Triazolyl azabicyclo[3.1.0]hexanes: a new series of potent and selective dopamine D(3) receptor antagonists. | Journal of medicinal chemistry 20100114 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.