N-{(3S,7S,8aS)-3-(2-methylpropyl)-4-oxo-2-[(1H-pyrrol-2-yl)methyl]octahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
Chemical Structure Depiction of
N-{(3S,7S,8aS)-3-(2-methylpropyl)-4-oxo-2-[(1H-pyrrol-2-yl)methyl]octahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
N-{(3S,7S,8aS)-3-(2-methylpropyl)-4-oxo-2-[(1H-pyrrol-2-yl)methyl]octahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
Compound characteristics
| Compound ID: | S974-1601 |
| Compound Name: | N-{(3S,7S,8aS)-3-(2-methylpropyl)-4-oxo-2-[(1H-pyrrol-2-yl)methyl]octahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide |
| Molecular Weight: | 332.44 |
| Molecular Formula: | C18 H28 N4 O2 |
| Smiles: | CC(C)C[C@H]1C(N2C[C@H](C[C@H]2CN1Cc1ccc[nH]1)NC(C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.023 |
| logD: | 0.9781 |
| logSw: | -2.0543 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.929 |
| InChI Key: | ASWXVNQUFONLDY-IKGGRYGDSA-N |