| CAS Number | 2098546-05-3 |
| Catalog Number | AG01FHJL(AGN-PC-3H4B0F) |
| Chemical Name | EBI-2511 |
| IUPAC Name | N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(1-propan-2-ylpiperidin-4-yl)-1-benzofuran-4-carboxamide |
| InChI | InChI=1S/C34H48N4O4/c1-7-26-29(38(8-2)25-11-15-41-16-12-25)19-31-27(18-30(42-31)24-9-13-37(14-10-24)21(3)4)32(26)34(40)35-20-28-22(5)17-23(6)36-33(28)39/h17-19,21,24-25H,7-16,20H2,1-6H3,(H,35,40)(H,36,39) |
| InChI Key | NYWVSLBALKNFJR-UHFFFAOYSA-N |
| MDL Number | MFCD31715425 |
| Molecular Formula | C34H48N4O4 |
| Molecular Weight | 576.7693 |
| SMILES | C12C=C(C3CCN(C(C)C)CC3)OC=1C=C(N(C1CCOCC1)CC)C(CC)=C2C(NCC1=C(C)C=C(C)NC1=O)=O |
| Synonyms | EBI-2511,
2098546-05-3,
GTPL9881,
SCHEMBL20503736,
EBI2511,
compound 34 [PMID: 29456795],
HY-111418,
CS-0040564,
N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-[1-(propan-2-yl)piperidin-4-yl]-1-benzofuran-4-carboxamide,
|
| Complexity | 1030 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 576.368g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 42 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 576.782g/mol |
| Monoisotopic Mass | 576.368g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 87A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number