N-[(3S,7S,8aS)-2-(3-fluoro-4-methoxybenzoyl)-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Chemical Structure Depiction of
N-[(3S,7S,8aS)-2-(3-fluoro-4-methoxybenzoyl)-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
N-[(3S,7S,8aS)-2-(3-fluoro-4-methoxybenzoyl)-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Compound characteristics
| Compound ID: | S974-0118 |
| Compound Name: | N-[(3S,7S,8aS)-2-(3-fluoro-4-methoxybenzoyl)-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C21 H28 F N3 O4 |
| Smiles: | CC(C)C[C@H]1C(N2C[C@H](C[C@H]2CN1C(c1ccc(c(c1)F)OC)=O)NC(C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.7041 |
| logD: | 1.7041 |
| logSw: | -2.2 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.748 |
| InChI Key: | XXRMYQUEEUWGRE-NUJGCVRESA-N |