N-(4-bromo-3-methylphenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide
N-(4-bromo-3-methylphenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide
Compound characteristics
| Compound ID: | C081-1048 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide |
| Molecular Weight: | 402.25 |
| Molecular Formula: | C18 H16 Br N3 O3 |
| Smiles: | Cc1cc(ccc1[Br])NC(CCCN1C(c2cccnc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5485 |
| logD: | 1.5484 |
| logSw: | -2.2257 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.528 |
| InChI Key: | DMXFDTGMHCMCRO-UHFFFAOYSA-N |