6-[(4-fluorophenyl)methyl]-7-(4-methoxy-2-nitroanilino)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
Chemical Structure Depiction of
6-[(4-fluorophenyl)methyl]-7-(4-methoxy-2-nitroanilino)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
6-[(4-fluorophenyl)methyl]-7-(4-methoxy-2-nitroanilino)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
Compound characteristics
| Compound ID: | G804-0033 |
| Compound Name: | 6-[(4-fluorophenyl)methyl]-7-(4-methoxy-2-nitroanilino)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one |
| Molecular Weight: | 408.39 |
| Molecular Formula: | C21 H17 F N4 O4 |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)NC1c2c(cccn2)C(N1Cc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9453 |
| logD: | 3.9453 |
| logSw: | -4.0943 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.838 |
| InChI Key: | JWHQQZGWKDBMDQ-FQEVSTJZSA-N |