1-(2-bromoethyl)-3'-[2-(methylsulfanyl)ethyl]-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
1-(2-bromoethyl)-3'-[2-(methylsulfanyl)ethyl]-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
1-(2-bromoethyl)-3'-[2-(methylsulfanyl)ethyl]-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: | 8016-1241 |
| Compound Name: | 1-(2-bromoethyl)-3'-[2-(methylsulfanyl)ethyl]-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: | 514.44 |
| Molecular Formula: | C24 H24 Br N3 O3 S |
| Smiles: | CSCCC1C2C(C(N(C2=O)c2ccccc2)=O)C2(C(N(CC[Br])c3ccccc23)=O)N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6501 |
| logD: | 2.6484 |
| logSw: | -3.4466 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.254 |
| InChI Key: | KKPCCEPPJXTTQQ-UHFFFAOYSA-N |