N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyrazin-6-yl)hexanamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyrazin-6-yl)hexanamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyrazin-6-yl)hexanamide
Compound characteristics
| Compound ID: | Y043-4437 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyrazin-6-yl)hexanamide |
| Molecular Weight: | 434.5 |
| Molecular Formula: | C23 H26 N6 O3 |
| Smiles: | CC(C)[C@@H](c1nc2ccccc2[nH]1)NC(CCCCCN1C(c2c(C1=O)nccn2)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.2843 |
| logD: | 1.2832 |
| logSw: | -1.9094 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.402 |
| InChI Key: | COSYWFZJWZPRSE-SFHVURJKSA-N |