N-[(3S,7S,8aS)-3-(2-methylpropyl)-4-oxo-2-(4-phenylbutanoyl)octahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Chemical Structure Depiction of
N-[(3S,7S,8aS)-3-(2-methylpropyl)-4-oxo-2-(4-phenylbutanoyl)octahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
N-[(3S,7S,8aS)-3-(2-methylpropyl)-4-oxo-2-(4-phenylbutanoyl)octahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Compound characteristics
| Compound ID: | S974-0126 |
| Compound Name: | N-[(3S,7S,8aS)-3-(2-methylpropyl)-4-oxo-2-(4-phenylbutanoyl)octahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide |
| Molecular Weight: | 399.53 |
| Molecular Formula: | C23 H33 N3 O3 |
| Smiles: | CC(C)C[C@H]1C(N2C[C@H](C[C@H]2CN1C(CCCc1ccccc1)=O)NC(C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.7747 |
| logD: | 2.7747 |
| logSw: | -3.1791 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.59 |
| InChI Key: | RTKINEWNHKYGMP-HKBOAZHASA-N |