5'-benzyl-1-(2-methylprop-2-en-1-yl)-3'-[2-(methylsulfanyl)ethyl]-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
5'-benzyl-1-(2-methylprop-2-en-1-yl)-3'-[2-(methylsulfanyl)ethyl]-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
5'-benzyl-1-(2-methylprop-2-en-1-yl)-3'-[2-(methylsulfanyl)ethyl]-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: | 8015-9033 |
| Compound Name: | 5'-benzyl-1-(2-methylprop-2-en-1-yl)-3'-[2-(methylsulfanyl)ethyl]-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: | 475.61 |
| Molecular Formula: | C27 H29 N3 O3 S |
| Smiles: | CC(=C)CN1C(C2(C3C(C(CCSC)N2)C(N(Cc2ccccc2)C3=O)=O)c2ccccc12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7424 |
| logD: | 3.7357 |
| logSw: | -4.1475 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.887 |
| InChI Key: | LJQKSAIRVJCXHL-UHFFFAOYSA-N |