4-{[(3S,7S,8aS)-7-(dimethylamino)-3-methyl-4-oxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[(3S,7S,8aS)-7-(dimethylamino)-3-methyl-4-oxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]methyl}benzonitrile
4-{[(3S,7S,8aS)-7-(dimethylamino)-3-methyl-4-oxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | S974-2381 |
| Compound Name: | 4-{[(3S,7S,8aS)-7-(dimethylamino)-3-methyl-4-oxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]methyl}benzonitrile |
| Molecular Weight: | 312.41 |
| Molecular Formula: | C18 H24 N4 O |
| Smiles: | C[C@H]1C(N2C[C@H](C[C@H]2CN1Cc1ccc(C#N)cc1)N(C)C)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.8828 |
| logD: | -0.8294 |
| logSw: | -1.6525 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.391 |
| InChI Key: | IEHNPZWVJBCANI-XKQJLSEDSA-N |