| CAS Number | 1175077-25-4 |
| Catalog Number | AG01DZT7(AGN-PC-0WP1YI) |
| Chemical Name | 5-Hydroxy-8-methoxy-7-(4-(4-methylpiperazin-1-yl)butoxy)-2-phenyl-4H-chromen-4-one |
| IUPAC Name | 5-hydroxy-8-methoxy-7-[4-(4-methylpiperazin-1-yl)butoxy]-2-phenylchromen-4-one |
| InChI | InChI=1S/C25H30N2O5/c1-26-11-13-27(14-12-26)10-6-7-15-31-22-17-20(29)23-19(28)16-21(18-8-4-3-5-9-18)32-25(23)24(22)30-2/h3-5,8-9,16-17,29H,6-7,10-15H2,1-2H3 |
| InChI Key | ICGYSEWPMDWBIL-UHFFFAOYSA-N |
| MDL Number | MFCD26793880 |
| Molecular Formula | C25H30N2O5 |
| Molecular Weight | 438.5161 |
| SMILES | OC1=C2C(C=C(OC2=C(C(=C1)OCCCCN1CCN(CC1)C)OC)C1=CC=CC=C1)=O |
| Synonyms | 5-hydroxy-8-methoxy-7-(4-(4-methylpiperazin-1-yl)butoxy)-2-phenyl-4H-chromen-4-one,
LYG 202,
LYG-202,
LYG202,
LYG-202,
1175077-25-4,
CHEMBL4071357,
AOB3551,
ZINC142658731,
AS-16758,
J-003628,
ICGYSEWPMDWBIL-UHFFFAOYSA-N,
|
| Complexity | 642 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 438.215g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 438.524g/mol |
| Monoisotopic Mass | 438.215g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 71.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number