2-{[(3S,7S,8aS)-7-(dimethylamino)-3-methyl-4-oxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[(3S,7S,8aS)-7-(dimethylamino)-3-methyl-4-oxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]methyl}benzonitrile
2-{[(3S,7S,8aS)-7-(dimethylamino)-3-methyl-4-oxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | S974-2383 |
| Compound Name: | 2-{[(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]2CN1Cc1ccccc1C#N)N(C)C)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.0273 |
| logD: | -0.6849 |
| logSw: | -2.3103 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.391 |
| InChI Key: | YKWJAAKSIICPDX-XKQJLSEDSA-N |