| CAS Number | 1845753-81-2 |
| Catalog Number | AG01EQFH(AGN-PC-3H479P) |
| Chemical Name | AZD 2716 |
| IUPAC Name | (2R)-3-[3-(5-benzyl-2-carbamoylphenyl)phenyl]-2-methylpropanoic acid |
| InChI | InChI=1S/C24H23NO3/c1-16(24(27)28)12-18-8-5-9-20(14-18)22-15-19(10-11-21(22)23(25)26)13-17-6-3-2-4-7-17/h2-11,14-16H,12-13H2,1H3,(H2,25,26)(H,27,28)/t16-/m1/s1 |
| InChI Key | PXRCDPVYRPKGGI-MRXNPFEDSA-N |
| Molecular Formula | C24H23NO3 |
| Molecular Weight | 373.4443 |
| SMILES | NC(C1=C(C2=CC(C[C@@H](C)C(O)=O)=CC=C2)C=C(C=C1)CC3=CC=CC=C3)=O |
| Synonyms | 1845753-81-2,
AZD2716,
AZD-2716,
SB18728,
(R)-3-(5'-Benzyl-2'-carbamoylbiphenyl-3-yl)-2-methylpropanoic acid,
|
| Complexity | 528 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 373.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 373.452g/mol |
| Monoisotopic Mass | 373.168g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number