623165-93-5
Product Name:
(3'R,6S,9R)-5,6,7,8,9,10-Hexahydro-5'-(2,2,2-trifluoroethyl)-2-[(1E)-3-[4-(trifluoromethyl)-1-piperidinyl]-1-propen-1-yl]spiro[6,9-methanobenzocyclooctene-11,3'-[1,2,5]thiadiazolidine] 1',1'-dioxide
Formula:
C25H31F6N3O2S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 551.6 g/mol |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 4 |
| Exact Mass | 551.20411739 g/mol |
| Monoisotopic Mass | 551.20411739 g/mol |
| Topological Polar Surface Area | 61 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 957 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
MRK-003 is a potent and selective γ-secretase inhibitor developed by Merck. It is the preclinical analog of [MK-0752], a drug in clinical development.