| CAS Number | 565193-14-8 |
| Catalog Number | AG019GVX |
| Chemical Name | N,N'-bis(4-phenoxyphenyl)propanediamide |
| IUPAC Name | N,N'-bis(4-phenoxyphenyl)propanediamide |
| InChI | InChI=1S/C27H22N2O4/c30-26(28-20-11-15-24(16-12-20)32-22-7-3-1-4-8-22)19-27(31)29-21-13-17-25(18-14-21)33-23-9-5-2-6-10-23/h1-18H,19H2,(H,28,30)(H,29,31) |
| InChI Key | KHHPHLOXCANWFJ-UHFFFAOYSA-N |
| MDL Number | MFCD03966854 |
| Molecular Formula | C27H22N2O4 |
| Molecular Weight | 438.4746 |
| SMILES | O=C(Nc1ccc(cc1)Oc1ccccc1)CC(=O)Nc1ccc(cc1)Oc1ccccc1 |
| Synonyms | N,N'-bis(4-phenoxyphenyl)propanediamide,
N,N'-Bis-(4-phenoxy-phenyl)-malonamide,
565193-14-8,
AC1Q5GUT,
AC1M66JH,
SCHEMBL2000889,
CTK7G5858,
ZINC3276778,
AKOS000115174,
MCULE-4858297142,
NE12694,
EN300-01463,
ZINC03276778,
CID2392247,
|
| Complexity | 547 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 438.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 438.483g/mol |
| Monoisotopic Mass | 438.158g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number