N-[(3S,7S,8aS)-3-(2-methylpropyl)-4-oxo-2-(3-phenylpropyl)octahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Chemical Structure Depiction of
N-[(3S,7S,8aS)-3-(2-methylpropyl)-4-oxo-2-(3-phenylpropyl)octahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
N-[(3S,7S,8aS)-3-(2-methylpropyl)-4-oxo-2-(3-phenylpropyl)octahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Compound characteristics
| Compound ID: | S974-1590 |
| Compound Name: | N-[(3S,7S,8aS)-3-(2-methylpropyl)-4-oxo-2-(3-phenylpropyl)octahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide |
| Molecular Weight: | 371.52 |
| Molecular Formula: | C22 H33 N3 O2 |
| Smiles: | CC(C)C[C@H]1C(N2C[C@H](C[C@H]2CN1CCCc1ccccc1)NC(C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.7719 |
| logD: | 2.405 |
| logSw: | -3.1287 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.346 |
| InChI Key: | MQVCCWZXCMDNHY-HKBOAZHASA-N |