4-({5-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4,6-dioxohexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl}methyl)benzonitrile
Chemical Structure Depiction of
4-({5-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4,6-dioxohexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl}methyl)benzonitrile
4-({5-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4,6-dioxohexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | S296-2534 |
| Compound Name: | 4-({5-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4,6-dioxohexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl}methyl)benzonitrile |
| Molecular Weight: | 414.51 |
| Molecular Formula: | C25 H26 N4 O2 |
| Smiles: | C1CN(CCN2C([C@@H]3CN(Cc4ccc(C#N)cc4)C[C@@H]3C2=O)=O)Cc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 1.9246 |
| logD: | 1.0301 |
| logSw: | -2.5758 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.136 |
| InChI Key: | XGSGRZDRLFXZPU-GOTSBHOMSA-N |