(3S,7S,8aS)-7-(dimethylamino)-3-(2-methylpropyl)-4-oxo-N-(2-phenylethyl)hexahydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide
Chemical Structure Depiction of
(3S,7S,8aS)-7-(dimethylamino)-3-(2-methylpropyl)-4-oxo-N-(2-phenylethyl)hexahydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide
(3S,7S,8aS)-7-(dimethylamino)-3-(2-methylpropyl)-4-oxo-N-(2-phenylethyl)hexahydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide
Compound characteristics
| Compound ID: | S974-0578 |
| Compound Name: | (3S,7S,8aS)-7-(dimethylamino)-3-(2-methylpropyl)-4-oxo-N-(2-phenylethyl)hexahydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide |
| Molecular Weight: | 386.54 |
| Molecular Formula: | C22 H34 N4 O2 |
| Smiles: | CC(C)C[C@H]1C(N2C[C@H](C[C@H]2CN1C(NCCc1ccccc1)=O)N(C)C)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.5841 |
| logD: | 0.8794 |
| logSw: | -2.9231 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.431 |
| InChI Key: | LMMRDBQEZJFYPD-AABGKKOBSA-N |