3'-[2-(methylsulfanyl)ethyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-5'-phenyl-3'a,6'a-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Chemical Structure Depiction of
3'-[2-(methylsulfanyl)ethyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-5'-phenyl-3'a,6'a-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
3'-[2-(methylsulfanyl)ethyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-5'-phenyl-3'a,6'a-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Compound characteristics
| Compound ID: | 8016-1242 |
| Compound Name: | 3'-[2-(methylsulfanyl)ethyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-5'-phenyl-3'a,6'a-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione |
| Molecular Weight: | 534.63 |
| Molecular Formula: | C28 H30 N4 O5 S |
| Smiles: | CSCCC1C2C(C(N(C2=O)c2ccccc2)=O)C2(C(N(CC(N3CCOCC3)=O)c3ccccc23)=O)N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.756 |
| logD: | 0.7551 |
| logSw: | -2.4467 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.305 |
| InChI Key: | VAQRAIRRIIFXAS-UHFFFAOYSA-N |