(3S,7S,8aS)-7-acetamido-N-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)-4-oxohexahydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide
Chemical Structure Depiction of
(3S,7S,8aS)-7-acetamido-N-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)-4-oxohexahydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide
(3S,7S,8aS)-7-acetamido-N-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)-4-oxohexahydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide
Compound characteristics
| Compound ID: | S974-4875 |
| Compound Name: | (3S,7S,8aS)-7-acetamido-N-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)-4-oxohexahydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide |
| Molecular Weight: | 404.48 |
| Molecular Formula: | C21 H29 F N4 O3 |
| Smiles: | CC(C)C[C@H]1C(N2C[C@H](C[C@H]2CN1C(Nc1cccc(c1C)F)=O)NC(C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.3984 |
| logD: | 2.3984 |
| logSw: | -2.8231 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.241 |
| InChI Key: | HUOIQWZDUQKPRG-MDZRGWNJSA-N |