| CAS Number | 868273-90-9 |
| Catalog Number | AG01EQF6(AGN-PC-0V8P1Q) |
| Chemical Name | ONO5334 |
| IUPAC Name | N-[(1S)-3-[(2Z)-2-[(4R)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cycloheptanecarboxamide |
| InChI | InChI=1S/C21H34N4O4S/c1-14-13-30-21(25(14)2)24-23-20(28)18(26)17(15-9-11-29-12-10-15)22-19(27)16-7-5-3-4-6-8-16/h14-17H,3-13H2,1-2H3,(H,22,27)(H,23,28)/b24-21-/t14-,17+/m1/s1 |
| InChI Key | BTZCSXIUAFVRTE-CHGLIHOBSA-N |
| MDL Number | MFCD28139071 |
| Molecular Formula | C21H34N4O4S |
| Molecular Weight | 438.5841 |
| SMILES | [C@H](C1CCOCC1)(C(=O)C(=O)N/N=C1SC[C@H](N1C)C)NC(C1CCCCCC1)=O |
| Synonyms | ONO-5334,
ONO-5334,
SCHEMBL3629499,
868273-90-9,
AKOS032954060,
N-((1s)-3-{(2z)-2-((4r)-3,4-dimethyl-1,3-thiazolidin-2-ylidene) hydrazino}-2,3-dioxo-1-(tetrahydro-2h-pyran-4-yl)propyl)cycloheptane carboxamide,
CID11582982,
CID 11561222,
|
| Complexity | 657 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 438.23g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 438.587g/mol |
| Monoisotopic Mass | 438.23g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 125A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number