N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-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)-3-methylbutyl]-3-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)propanamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)propanamide
Compound characteristics
| Compound ID: | Y042-7419 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)propanamide |
| Molecular Weight: | 405.46 |
| Molecular Formula: | C22 H23 N5 O3 |
| Smiles: | CC(C)C[C@@H](c1nc2ccccc2[nH]1)NC(CCN1C(c2cccnc2C1=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.57 |
| logD: | 1.5682 |
| logSw: | -2.2071 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.772 |
| InChI Key: | UKTMCBQERGMRPP-KRWDZBQOSA-N |