7-(2-methyl-4-nitroanilino)-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
Chemical Structure Depiction of
7-(2-methyl-4-nitroanilino)-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
7-(2-methyl-4-nitroanilino)-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
Compound characteristics
| Compound ID: | G804-0917 |
| Compound Name: | 7-(2-methyl-4-nitroanilino)-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C19 H16 N4 O3 S |
| Smiles: | Cc1cc(ccc1NC1c2c(cccn2)C(N1Cc1cccs1)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.862 |
| logD: | 3.862 |
| logSw: | -3.9482 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.613 |
| InChI Key: | OQEWMNBKLVBXNC-SFHVURJKSA-N |