[4-({5-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl}amino)phenyl]acetonitrile
Chemical Structure Depiction of
[4-({5-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl}amino)phenyl]acetonitrile
[4-({5-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl}amino)phenyl]acetonitrile
Compound characteristics
| Compound ID: | C612-0971 |
| Compound Name: | [4-({5-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl}amino)phenyl]acetonitrile |
| Molecular Weight: | 360.44 |
| Molecular Formula: | C20 H16 N4 O S |
| Smiles: | C(C#N)c1ccc(cc1)NC1c2c(cccn2)C(N1Cc1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.026 |
| logD: | 3.026 |
| logSw: | -3.5976 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.421 |
| InChI Key: | VBNIONBMXCDSTC-IBGZPJMESA-N |