| CAS Number | 1206731-57-8 |
| Catalog Number | AG01EO5R(AGN-PC-0WNNNT) |
| Chemical Name | WT-161 |
| IUPAC Name | N'-hydroxy-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide |
| InChI | InChI=1S/C27H30N4O3/c32-26(15-9-1-2-10-16-27(33)30-34)29-28-21-22-17-19-25(20-18-22)31(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-14,17-21,34H,1-2,9-10,15-16H2,(H,29,32)(H,30,33)/b28-21+ |
| InChI Key | KXWWYFKVBFUVIZ-SGWCAAJKSA-N |
| MDL Number | MFCD31563598 |
| Molecular Formula | C27H30N4O3 |
| Molecular Weight | 458.5521 |
| SMILES | C1(=CC=CC=C1)N(C1=CC=C(C=NNC(CCCCCCC(=O)NO)=O)C=C1)C1=CC=CC=C1 |
| Synonyms | WT-161,
1206731-57-8,
SCHEMBL2608041,
CHEBI:95034,
EX-A2536,
AKOS032954247,
CS-6516,
HY-100871,
(E)-8-(2-(4-(diphenylamino)benzylidene)hydrazinyl)-N-hydroxy-8-oxooctanamide,
WT161,
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| Complexity | 603 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 458.232g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 458.562g/mol |
| Monoisotopic Mass | 458.232g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 94A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number