N-(4-{1-methyl-3'-[2-(methylsulfanyl)ethyl]-2,4',6'-trioxo-1,2,2',3',3'a,4',6',6'a-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl}phenyl)acetamide
Chemical Structure Depiction of
N-(4-{1-methyl-3'-[2-(methylsulfanyl)ethyl]-2,4',6'-trioxo-1,2,2',3',3'a,4',6',6'a-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl}phenyl)acetamide
N-(4-{1-methyl-3'-[2-(methylsulfanyl)ethyl]-2,4',6'-trioxo-1,2,2',3',3'a,4',6',6'a-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl}phenyl)acetamide
Compound characteristics
| Compound ID: | 8014-9921 |
| Compound Name: | N-(4-{1-methyl-3'-[2-(methylsulfanyl)ethyl]-2,4',6'-trioxo-1,2,2',3',3'a,4',6',6'a-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl}phenyl)acetamide |
| Molecular Weight: | 478.57 |
| Molecular Formula: | C25 H26 N4 O4 S |
| Smiles: | CC(Nc1ccc(cc1)N1C(C2C(C1=O)C1(C(N(C)c3ccccc13)=O)NC2CCSC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0214 |
| logD: | 1.0202 |
| logSw: | -2.2627 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.303 |
| InChI Key: | DEFJFUFALZXFTQ-UHFFFAOYSA-N |