N-{(3S,7S,8aS)-3-(2-methylpropyl)-4-oxo-2-[(2,4,5-trimethoxyphenyl)methyl]octahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
Chemical Structure Depiction of
N-{(3S,7S,8aS)-3-(2-methylpropyl)-4-oxo-2-[(2,4,5-trimethoxyphenyl)methyl]octahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
N-{(3S,7S,8aS)-3-(2-methylpropyl)-4-oxo-2-[(2,4,5-trimethoxyphenyl)methyl]octahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
Compound characteristics
| Compound ID: | S974-4827 |
| Compound Name: | N-{(3S,7S,8aS)-3-(2-methylpropyl)-4-oxo-2-[(2,4,5-trimethoxyphenyl)methyl]octahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C23 H35 N3 O5 |
| Smiles: | CC(C)C[C@H]1C(N2C[C@H](C[C@H]2CN1Cc1cc(c(cc1OC)OC)OC)NC(C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.707 |
| logD: | 0.9853 |
| logSw: | -2.0653 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.259 |
| InChI Key: | UPYMZNSCUGCDRQ-QYZOEREBSA-N |