7-(4-bromo-3-methylanilino)-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
Chemical Structure Depiction of
7-(4-bromo-3-methylanilino)-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
7-(4-bromo-3-methylanilino)-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
Compound characteristics
| Compound ID: | C612-1144 |
| Compound Name: | 7-(4-bromo-3-methylanilino)-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one |
| Molecular Weight: | 414.32 |
| Molecular Formula: | C19 H16 Br N3 O S |
| Smiles: | Cc1cc(ccc1[Br])NC1c2c(cccn2)C(N1Cc1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6474 |
| logD: | 4.6474 |
| logSw: | -4.4582 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.929 |
| InChI Key: | AHHFBESIBNIGCN-SFHVURJKSA-N |