| CAS Number | 1338574-83-6 |
| Catalog Number | AG01ENLL(AGN-PC-3H45P4) |
| Chemical Name | N-[[1,1'-Biphenyl]-3-ylmethyl)-N-methylcarbamicacid4'-(aminocarbonyl)[1,1'-biphenyl]-4-ylester |
| IUPAC Name | [4-(4-carbamoylphenyl)phenyl] N-methyl-N-[(3-phenylphenyl)methyl]carbamate |
| InChI | InChI=1S/C28H24N2O3/c1-30(19-20-6-5-9-25(18-20)21-7-3-2-4-8-21)28(32)33-26-16-14-23(15-17-26)22-10-12-24(13-11-22)27(29)31/h2-18H,19H2,1H3,(H2,29,31) |
| InChI Key | UUJGYRHAOHORFC-UHFFFAOYSA-N |
| MDL Number | MFCD29081193 |
| Molecular Formula | C28H24N2O3 |
| Molecular Weight | 436.5018 |
| SMILES | O=C(N)C1=CC=C(C2=CC=C(OC(N(C)CC3=CC(C4=CC=CC=C4)=CC=C3)=O)C=C2)C=C1 |
| Synonyms | 1338574-83-6,
SCHEMBL15784477,
WWL 123,
AKOS027470170,
ZINC147904242,
N-[[1,1'-Biphenyl]-3-ylmethyl)-N-methylcarbamic acid 4'-(aminocarbonyl)[1,1'-biphenyl]-4-yl ester,
N-[[1,1'-Biphenyl]-3-ylmethyl)-N-methylcarbamicacid4'-(aminocarbonyl)[1,1'-biphenyl]-4-ylester,
UUJGYRHAOHORFC-UHFFFAOYSA-N,
|
| Complexity | 631 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 436.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 436.511g/mol |
| Monoisotopic Mass | 436.179g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number