N-[(1RS)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide
Chemical Structure Depiction of
N-[(1RS)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide
N-[(1RS)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide
Compound characteristics
| Compound ID: | Y043-4989 |
| Compound Name: | N-[(1RS)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C23 H25 N5 O3 |
| Smiles: | CC[C@H](C)[C@@H](c1nc2ccccc2[nH]1)NC(CCCN1C(c2cccnc2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.254 |
| logD: | 1.2525 |
| logSw: | -2.1234 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.493 |
| InChI Key: | XLBQXCBUNNLVJR-LIRRHRJNSA-N |