5'-butyl-1-[(2-chlorophenyl)methyl]-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'-butyl-1-[(2-chlorophenyl)methyl]-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'-butyl-1-[(2-chlorophenyl)methyl]-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: | 8015-7332 |
| Compound Name: | 5'-butyl-1-[(2-chlorophenyl)methyl]-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: | 512.07 |
| Molecular Formula: | C27 H30 Cl N3 O3 S |
| Smiles: | CCCCN1C(C2C(C1=O)C1(C(N(Cc3ccccc3[Cl])c3ccccc13)=O)NC2CCSC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4021 |
| logD: | 4.4012 |
| logSw: | -4.5253 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.865 |
| InChI Key: | IAIXAIAYQAHPPU-UHFFFAOYSA-N |