5'-butyl-3'-[2-(methylsulfanyl)ethyl]-1-(prop-2-en-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
5'-butyl-3'-[2-(methylsulfanyl)ethyl]-1-(prop-2-en-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
5'-butyl-3'-[2-(methylsulfanyl)ethyl]-1-(prop-2-en-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: | 8016-6610 |
| Compound Name: | 5'-butyl-3'-[2-(methylsulfanyl)ethyl]-1-(prop-2-en-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: | 427.56 |
| Molecular Formula: | C23 H29 N3 O3 S |
| Smiles: | CCCCN1C(C2C(C1=O)C1(C(N(CC=C)c3ccccc13)=O)NC2CCSC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8021 |
| logD: | 2.8006 |
| logSw: | -3.5929 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.115 |
| InChI Key: | NCNIDYUNYSXZSI-UHFFFAOYSA-N |