| CAS Number | 1338575-41-9 |
| Catalog Number | AG01E16L(AGN-PC-0WP0DA) |
| Chemical Name | WWL123 analogue-1 |
| IUPAC Name | [3-(4-carbamoylphenyl)phenyl] N-methyl-N-[(3-phenylphenyl)methyl]carbamate |
| InChI | InChI=1S/C28H24N2O3/c1-30(19-20-7-5-10-24(17-20)21-8-3-2-4-9-21)28(32)33-26-12-6-11-25(18-26)22-13-15-23(16-14-22)27(29)31/h2-18H,19H2,1H3,(H2,29,31) |
| InChI Key | QKMMESWNJMOPIF-UHFFFAOYSA-N |
| MDL Number | MFCD30502663 |
| Molecular Formula | C28H24N2O3 |
| Molecular Weight | 436.5018 |
| SMILES | O=C(C1=CC=C(C2C=C(OC(N(CC3C=C(C4=CC=CC=C4)C=CC=3)C)=O)C=CC=2)C=C1)N |
| Synonyms | WWL123,
1338575-41-9,
GTPL9480,
SCHEMBL14684640,
ZINC198962505,
SR-02000001736,
SR-02000001736-1,
[3-(4-carbamoylphenyl)phenyl] N-methyl-N-[(3-phenylphenyl)methyl]carbamate,
QKMMESWNJMOPIF-UHFFFAOYSA-N,
|
| Complexity | 639 |
| 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