4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyrazin-6-yl)-N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)ethyl]butanamide
Chemical Structure Depiction of
4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyrazin-6-yl)-N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)ethyl]butanamide
4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyrazin-6-yl)-N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)ethyl]butanamide
Compound characteristics
| Compound ID: | Y042-7002 |
| Compound Name: | 4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyrazin-6-yl)-N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)ethyl]butanamide |
| Molecular Weight: | 392.42 |
| Molecular Formula: | C20 H20 N6 O3 |
| Smiles: | C[C@@H](c1nc2ccccc2n1C)NC(CCCN1C(c2c(C1=O)nccn2)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.2685 |
| logD: | -0.2721 |
| logSw: | -1.6552 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.933 |
| InChI Key: | NGMYNZSTERMQDK-LBPRGKRZSA-N |