7-(2-methoxy-4-nitroanilino)-6-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
Chemical Structure Depiction of
7-(2-methoxy-4-nitroanilino)-6-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
7-(2-methoxy-4-nitroanilino)-6-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
Compound characteristics
| Compound ID: | G804-1447 |
| Compound Name: | 7-(2-methoxy-4-nitroanilino)-6-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one |
| Molecular Weight: | 420.42 |
| Molecular Formula: | C22 H20 N4 O5 |
| Smiles: | COc1ccc(CN2C(c3c(cccn3)C2=O)Nc2ccc(cc2OC)[N+]([O-])=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5175 |
| logD: | 3.5175 |
| logSw: | -3.8048 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.769 |
| InChI Key: | FJDFKZYZLMMWAG-NRFANRHFSA-N |