| CAS Number | 937891-74-2 |
| Catalog Number | AG01BUVY |
| Chemical Name | 1-[(Methylcarbamoyl)Amino]-1-Oxopropan-2-Yl 4-{[(4-Methyl-2-Oxo-2H-Chromen-7-Yl)Oxy]Methyl}Benzoate |
| IUPAC Name | [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate |
| InChI | InChI=1S/C23H22N2O7/c1-13-10-20(26)32-19-11-17(8-9-18(13)19)30-12-15-4-6-16(7-5-15)22(28)31-14(2)21(27)25-23(29)24-3/h4-11,14H,12H2,1-3H3,(H2,24,25,27,29) |
| InChI Key | QPLWJVFJFYAMHG-UHFFFAOYSA-N |
| MDL Number | MFCD07874957 |
| Molecular Formula | C23H22N2O7 |
| Molecular Weight | 438.4300 |
| SMILES | CNC(NC(C(OC(C1=CC=C(COC2=CC3=C(C(=CC(O3)=O)C)C=C2)C=C1)=O)C)=O)=O |
| Synonyms | 1-[(methylcarbamoyl)amino]-1-oxopropan-2-yl 4-{[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}benzoate,
937891-74-2,
AKOS001458373,
AKOS016847971,
MCULE-5878733412,
NCGC00306237-01,
AB01302410-01,
|
| Complexity | 757 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 438.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 438.436g/mol |
| Monoisotopic Mass | 438.143g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number