| CAS Number | 2101314-20-7 |
| Catalog Number | AG01EOPP(AGN-PC-3H46H4) |
| Chemical Name | CX-5416 hydrochloride |
| IUPAC Name | 2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;hydrochloride |
| InChI | InChI=1S/C27H27N7O2S.ClH/c1-17-14-29-18(15-28-17)16-30-26(36)23-24(35)19-8-9-22(33-11-5-10-32(2)12-13-33)31-25(19)34-20-6-3-4-7-21(20)37-27(23)34;/h3-4,6-9,14-15H,5,10-13,16H2,1-2H3,(H,30,36);1H |
| InChI Key | YCGHUQKYOCALNJ-UHFFFAOYSA-N |
| MDL Number | MFCD31657443 |
| Molecular Formula | C27H28ClN7O2S |
| Molecular Weight | 550.0749 |
| SMILES | CN1CCCN(CC1)c1ccc2c(n1)n1c(c(c2=O)C(=O)NCc2cnc(cn2)C)sc2c1cccc2.Cl |
| Synonyms | CX-5461 HCl,
2101314-20-7,
2-(4-Methyl-1,4-diazepan-1-yl)-N-((5-methylpyrazin-2-yl)methyl)-5-oxo-5H-benzo[4,5]thiazolo[3,2-a][1,8]naphthyridine-6-carboxamide hydrochloride,
|
| Complexity | 915 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 549.171g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 550.078g/mol |
| Monoisotopic Mass | 549.171g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number