| CAS Number | 2092923-21-0 |
| Catalog Number | AG01EQFS(AGN-PC-3H47A9) |
| Chemical Name | VU6008667 |
| IUPAC Name | (9bS)-9b-(4-chloro-3-methylphenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one |
| InChI | InChI=1S/C24H17ClF2N2O2/c1-14-12-16(7-8-19(14)25)24-18-5-3-2-4-17(18)23(31)29(24)11-10-28(24)22(30)15-6-9-20(26)21(27)13-15/h2-9,12-13H,10-11H2,1H3/t24-/m0/s1 |
| InChI Key | XMSLRELXMCKGCB-DEOSSOPVSA-N |
| MDL Number | MFCD00565556 |
| Molecular Formula | C24H17ClF2N2O2 |
| Molecular Weight | 438.8538 |
| SMILES | C1C=C2[C@@]3(C4C=C(C)C(Cl)=CC=4)N(C(=O)C4C=CC(F)=C(F)C=4)CCN3C(=O)C2=CC=1 |
| Synonyms | CHEMBL4062497,
VU 6008667,
(S)-9b-(4-Chloro-3-methylphenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5(9bH)-one,
2092923-21-0,
|
| Complexity | 738 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 438.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 438.859g/mol |
| Monoisotopic Mass | 438.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
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Certificate of Analysis
Lot Number