| CAS Number | 1572184-68-9 |
| Catalog Number | AG00HYFN(AGN-PC-0WR2NT) |
| Chemical Name | (E)-N'-((1H-Indol-6-yl)methylene)-2-(2,4-dimethyl-6-(tetrahydro-2H-pyran-4-yl)phenoxy)acetohydrazide |
| IUPAC Name | 2-[2,4-dimethyl-6-(oxan-4-yl)phenoxy]-N-[(E)-1H-indol-6-ylmethylideneamino]acetamide |
| InChI | InChI=1S/C24H27N3O3/c1-16-11-17(2)24(21(12-16)19-6-9-29-10-7-19)30-15-23(28)27-26-14-18-3-4-20-5-8-25-22(20)13-18/h3-5,8,11-14,19,25H,6-7,9-10,15H2,1-2H3,(H,27,28)/b26-14+ |
| InChI Key | GKDSQRIJIGRMRV-VULFUBBASA-N |
| MDL Number | MFCD28657178 |
| Molecular Formula | C24H27N3O3 |
| Molecular Weight | 405.4895 |
| SMILES | N1C=CC2=CC=C(C=C12)\C=N\NC(COC1=C(C=C(C=C1C1CCOCC1)C)C)=O |
| Synonyms | 1572184-68-9,
SCHEMBL15519080,
SCHEMBL15519083,
MFCD28657178,
AS-41182,
(E)-N-((1H-INDOL-6-YL)METHYLENE)-2-(2-(TETRAHYDRO-2H-PYRAN-4-YL)-4,6-DIMETHYLPHENOXY)ACETOHYDRAZIDE,
(E)-N'-((1H-Indol-6-yl)methylene)-2-(2-(tetrahydro-2H-pyran-4-yl)-4,6-dimethylphenoxy)acetohydrazide,
|
| Complexity | 592 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 405.205g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 405.498g/mol |
| Monoisotopic Mass | 405.205g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 75.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number