3-amino-1,1-bis(ethylsulfanyl)-6-methyl-4-phenyl-4,5-dihydro-1H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile
Chemical Structure Depiction of
3-amino-1,1-bis(ethylsulfanyl)-6-methyl-4-phenyl-4,5-dihydro-1H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile
3-amino-1,1-bis(ethylsulfanyl)-6-methyl-4-phenyl-4,5-dihydro-1H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile
Compound characteristics
| Compound ID: | 8009-8277 |
| Compound Name: | 3-amino-1,1-bis(ethylsulfanyl)-6-methyl-4-phenyl-4,5-dihydro-1H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile |
| Molecular Weight: | 397.56 |
| Molecular Formula: | C20 H23 N5 S2 |
| Smiles: | CCSC1(C2(C=C(C)NC(c3ccccc3)C2(C#N)C(N)=N1)C#N)SCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7884 |
| logD: | 2.9889 |
| logSw: | -3.9842 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.059 |
| InChI Key: | XJNIDPXCCOSCQA-UHFFFAOYSA-N |