| CAS Number | 1051487-82-1 |
| Catalog Number | AG008Y4L(AGN-PC-0OUBVF) |
| Chemical Name | AC264613 |
| IUPAC Name | (3S,4R)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide |
| InChI | InChI=1S/C19H18BrN3O2/c1-12(14-8-5-9-15(20)10-14)22-23-19(25)17-16(11-21-18(17)24)13-6-3-2-4-7-13/h2-10,16-17H,11H2,1H3,(H,21,24)(H,23,25)/b22-12+/t16-,17-/m0/s1 |
| InChI Key | RQKXQCSEZPQBNZ-QSBCOWLBSA-N |
| MDL Number | MFCD18086869 |
| Molecular Formula | C19H18BrN3O2 |
| Molecular Weight | 400.2691 |
| SMILES | BrC1=CC(/C(C)=N/NC([C@@H]2C(NC[C@@]2([H])C3=CC=CC=C3)=O)=O)=CC=C1 |
| Synonyms | AC 264613,
CHEMBL494502,
1051487-82-1,
AC-264613,
HMS3677L12,
BDBM50412708,
AKOS024457588,
J-001349,
UNII-1ST2P4BE17 component RQKXQCSEZPQBNZ-QSBCOWLBSA-N,
(+/-)-(3R*,4S*)-2-Oxo-4-phenyl-3-pyrollidinecarboxylic acid 2-[1-(3-bromophenyl)ethylidene]hydrazide,
UNII-1ST2P4BE17,
3-Pyrrolidinecarboxylic acid, 2-oxo-4-phenyl-, 2-(1-(3-bromophenyl)ethylidene)hydrazide, (3R,4S)-rel-,
|
| Complexity | 531 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 399.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 400.276g/mol |
| Monoisotopic Mass | 399.058g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number