N-{4-[6-amino-6a-cyano-3,4-bis(ethylsulfanyl)-1,6a-dihydropyrrolo[3,4-c]pyrrol-1-yl]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[6-amino-6a-cyano-3,4-bis(ethylsulfanyl)-1,6a-dihydropyrrolo[3,4-c]pyrrol-1-yl]phenyl}acetamide
N-{4-[6-amino-6a-cyano-3,4-bis(ethylsulfanyl)-1,6a-dihydropyrrolo[3,4-c]pyrrol-1-yl]phenyl}acetamide
Compound characteristics
| Compound ID: | 8017-3678 |
| Compound Name: | N-{4-[6-amino-6a-cyano-3,4-bis(ethylsulfanyl)-1,6a-dihydropyrrolo[3,4-c]pyrrol-1-yl]phenyl}acetamide |
| Molecular Weight: | 399.54 |
| Molecular Formula: | C19 H21 N5 O S2 |
| Smiles: | CCSC1=C2C(=NC(c3ccc(cc3)NC(C)=O)C2(C#N)C(N)=N1)SCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.778 |
| logD: | -0.5398 |
| logSw: | -3.1666 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.827 |
| InChI Key: | XEJJXOARHAGLFI-UHFFFAOYSA-N |