7-(5-chloro-2,4-dimethoxyanilino)-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
Chemical Structure Depiction of
7-(5-chloro-2,4-dimethoxyanilino)-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
7-(5-chloro-2,4-dimethoxyanilino)-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
Compound characteristics
| Compound ID: | C612-0876 |
| Compound Name: | 7-(5-chloro-2,4-dimethoxyanilino)-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one |
| Molecular Weight: | 415.9 |
| Molecular Formula: | C20 H18 Cl N3 O3 S |
| Smiles: | COc1cc(c(cc1NC1c2c(cccn2)C(N1Cc1cccs1)=O)[Cl])OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1126 |
| logD: | 4.1126 |
| logSw: | -4.3847 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.492 |
| InChI Key: | XDUBBWSCBHOXIB-IBGZPJMESA-N |