(3S,7S,8aS)-N-benzyl-7-(dimethylamino)-3-(2-methylpropyl)-4-oxohexahydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide
Chemical Structure Depiction of
(3S,7S,8aS)-N-benzyl-7-(dimethylamino)-3-(2-methylpropyl)-4-oxohexahydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide
(3S,7S,8aS)-N-benzyl-7-(dimethylamino)-3-(2-methylpropyl)-4-oxohexahydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide
Compound characteristics
| Compound ID: | S974-0533 |
| Compound Name: | (3S,7S,8aS)-N-benzyl-7-(dimethylamino)-3-(2-methylpropyl)-4-oxohexahydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide |
| Molecular Weight: | 372.51 |
| Molecular Formula: | C21 H32 N4 O2 |
| Smiles: | CC(C)C[C@H]1C(N2C[C@H](C[C@H]2CN1C(NCc1ccccc1)=O)N(C)C)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.1676 |
| logD: | 0.4629 |
| logSw: | -2.551 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.589 |
| InChI Key: | IMHFKGKZOXXNQU-QYZOEREBSA-N |