| CAS Number | 133718-30-6 |
| Catalog Number | AG009CNN(AGN-PC-0PK3NE) |
| Chemical Name | R 80123 |
| IUPAC Name | N-cyclohexyl-N-methyl-2-[[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)-phenylmethylidene]amino]oxyacetamide |
| InChI | InChI=1S/C26H29N5O3/c1-30(21-10-6-3-7-11-21)24(33)17-34-29-25(18-8-4-2-5-9-18)19-12-13-22-20(14-19)15-31-16-23(32)28-26(31)27-22/h2,4-5,8-9,12-14,21H,3,6-7,10-11,15-17H2,1H3,(H,27,28,32) |
| InChI Key | VHDUUXNHZLBGHQ-UHFFFAOYSA-N |
| MDL Number | MFCD30489748 |
| Molecular Formula | C26H29N5O3 |
| Molecular Weight | 459.5402 |
| SMILES | C(N(C1CCCCC1)C)(=O)CO/N=C(/C1=CC=CC=C1)C1C=CC2=C(C=1)CN1CC(=O)NC1=N2 |
| Synonyms | R80123,
133718-30-6,
ZINC299888725,
Revizinone,
133718-29-3,
|
| Complexity | 815 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 459.227g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 459.55g/mol |
| Monoisotopic Mass | 459.227g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 86.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number