| CAS Number | 937874-01-6 |
| Catalog Number | AG01BUVZ |
| Chemical Name | 1-(carbamoylamino)-1-oxopropan-2-yl 4-{[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}benzoate |
| IUPAC Name | [1-(carbamoylamino)-1-oxopropan-2-yl] 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate |
| InChI | InChI=1S/C22H20N2O7/c1-12-9-19(25)31-18-10-16(7-8-17(12)18)29-11-14-3-5-15(6-4-14)21(27)30-13(2)20(26)24-22(23)28/h3-10,13H,11H2,1-2H3,(H3,23,24,26,28) |
| InChI Key | IMLNWBYZIAQDGL-UHFFFAOYSA-N |
| MDL Number | MFCD04800349 |
| Molecular Formula | C22H20N2O7 |
| Molecular Weight | 424.4034 |
| SMILES | CC(C(NC(N)=O)=O)OC(C1=CC=C(COC2=CC3=C(C(=CC(O3)=O)C)C=C2)C=C1)=O |
| Synonyms | 1-(carbamoylamino)-1-oxopropan-2-yl 4-{[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}benzoate,
937874-01-6,
AKOS001455367,
AKOS016847972,
MCULE-8890161978,
NCGC00343356-01,
AB01314852-01,
Z15942346,
|
| Complexity | 742 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 424.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 424.409g/mol |
| Monoisotopic Mass | 424.127g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 134A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number