N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)propanamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)propanamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)propanamide
Compound characteristics
| Compound ID: | Y042-6836 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)propanamide |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C21 H21 N5 O3 |
| Smiles: | CC(C)[C@@H](c1nc2ccccc2[nH]1)NC(CCN1C(c2cccnc2C1=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.0602 |
| logD: | 1.0591 |
| logSw: | -2.0616 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.493 |
| InChI Key: | TVLUSCXBPPKQPM-KRWDZBQOSA-N |