3-{5'-benzyl-1-[(2-fluorophenyl)methyl]-2,4',6'-trioxo-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl}propanoic acid
Chemical Structure Depiction of
3-{5'-benzyl-1-[(2-fluorophenyl)methyl]-2,4',6'-trioxo-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl}propanoic acid
3-{5'-benzyl-1-[(2-fluorophenyl)methyl]-2,4',6'-trioxo-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl}propanoic acid
Compound characteristics
| Compound ID: | 8013-5812 |
| Compound Name: | 3-{5'-benzyl-1-[(2-fluorophenyl)methyl]-2,4',6'-trioxo-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl}propanoic acid |
| Molecular Weight: | 527.55 |
| Molecular Formula: | C30 H26 F N3 O5 |
| Smiles: | C(CC(O)=O)C1C2C(C(N(Cc3ccccc3)C2=O)=O)C2(C(N(Cc3ccccc3F)c3ccccc23)=O)N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8862 |
| logD: | 0.0581 |
| logSw: | -3.5793 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.999 |
| InChI Key: | HKAUWMMVQGDEAJ-UHFFFAOYSA-N |