| CAS Number | 2095616-82-1 |
| Catalog Number | AG01EO75(AGN-PC-3H468J) |
| Chemical Name | N-(tert-butyl)-2-((6,6-dimethyl-8-(methylsulfonamido)-11-oxo-6,11-dihydronaphtho[2,3-b]benzofuran-3-yl)ethynyl)-6-methylisonicotinamide |
| IUPAC Name | N-tert-butyl-2-[2-[8-(methanesulfonamido)-6,6-dimethyl-11-oxonaphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methylpyridine-4-carboxamide |
| InChI | InChI=1S/C32H31N3O5S/c1-18-14-20(30(37)34-31(2,3)4)16-21(33-18)10-8-19-9-12-24-26(15-19)40-29-27(24)28(36)23-13-11-22(35-41(7,38)39)17-25(23)32(29,5)6/h9,11-17,35H,1-7H3,(H,34,37) |
| InChI Key | DCGOHGQJHJXBGW-UHFFFAOYSA-N |
| MDL Number | MFCD31715415 |
| Molecular Formula | C32H31N3O5S |
| Molecular Weight | 569.6706 |
| SMILES | O=C(NC(C)(C)C)C1=CC(C)=NC(C#CC2=CC=C3C4=C(C(C)(C)C5=C(C=CC(NS(=O)(C)=O)=C5)C4=O)OC3=C2)=C1 |
| Synonyms | CH7057288,
2095616-82-1,
N-tert-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide,
HY-107362,
CS-0028214,
RCH,
|
| Complexity | 1210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 569.198g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 41 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 569.676g/mol |
| Monoisotopic Mass | 569.198g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number