ethyl {5'-benzyl-3'-[2-(methylsulfanyl)ethyl]-2,4',6'-trioxo-3',3'a,4',5',6',6'a-hexahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-1(2H)-yl}acetate
Chemical Structure Depiction of
ethyl {5'-benzyl-3'-[2-(methylsulfanyl)ethyl]-2,4',6'-trioxo-3',3'a,4',5',6',6'a-hexahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-1(2H)-yl}acetate
ethyl {5'-benzyl-3'-[2-(methylsulfanyl)ethyl]-2,4',6'-trioxo-3',3'a,4',5',6',6'a-hexahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-1(2H)-yl}acetate
Compound characteristics
| Compound ID: | 8016-1251 |
| Compound Name: | ethyl {5'-benzyl-3'-[2-(methylsulfanyl)ethyl]-2,4',6'-trioxo-3',3'a,4',5',6',6'a-hexahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-1(2H)-yl}acetate |
| Molecular Weight: | 507.61 |
| Molecular Formula: | C27 H29 N3 O5 S |
| Smiles: | CCOC(CN1C(C2(C3C(C(CCSC)N2)C(N(Cc2ccccc2)C3=O)=O)c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6856 |
| logD: | 2.6842 |
| logSw: | -3.4203 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.045 |
| InChI Key: | XWLRTNZHBAPKED-UHFFFAOYSA-N |