1-benzyl-3'-[2-(methylsulfanyl)ethyl]-5'-(naphthalen-1-yl)-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
1-benzyl-3'-[2-(methylsulfanyl)ethyl]-5'-(naphthalen-1-yl)-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
1-benzyl-3'-[2-(methylsulfanyl)ethyl]-5'-(naphthalen-1-yl)-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: | 8015-3074 |
| Compound Name: | 1-benzyl-3'-[2-(methylsulfanyl)ethyl]-5'-(naphthalen-1-yl)-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: | 547.68 |
| Molecular Formula: | C33 H29 N3 O3 S |
| Smiles: | CSCCC1C2C(C(N(C2=O)c2cccc3ccccc23)=O)C2(C(N(Cc3ccccc3)c3ccccc23)=O)N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9585 |
| logD: | 4.9581 |
| logSw: | -5.3313 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.431 |
| InChI Key: | XISMLAMAWBDSCB-UHFFFAOYSA-N |