| CAS Number | 1417997-93-3 |
| Catalog Number | AG01EO5Q(AGN-PC-3H467K) |
| Chemical Name | HDAC8-IN-1 |
| IUPAC Name | (E)-N-hydroxy-3-[4-methoxy-2-(4-phenylphenyl)phenyl]prop-2-enamide |
| InChI | InChI=1S/C22H19NO3/c1-26-20-13-11-19(12-14-22(24)23-25)21(15-20)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15,25H,1H3,(H,23,24)/b14-12+ |
| InChI Key | ASHPRZYGCOMVHO-WYMLVPIESA-N |
| MDL Number | MFCD31619280 |
| Molecular Formula | C22H19NO3 |
| Molecular Weight | 345.3912 |
| SMILES | O=C(NO)/C=C/C1=CC=C(OC)C=C1C2=CC=C(C3=CC=CC=C3)C=C2 |
| Synonyms | HDAC8-IN-1,
1417997-93-3,
CHEMBL4078458,
SCHEMBL16516543,
ABM-7933,
BCP26192,
EX-A1820,
MDK-7933,
(E)-N-hydroxy-3-(5-methoxy-[1,1':4',1''-terphenyl]-2-yl)acrylamide,
A17091,
ACN-055553,
|
| Complexity | 464 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 345.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 345.398g/mol |
| Monoisotopic Mass | 345.136g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number