N-[(3S,7S,8aS)-2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Chemical Structure Depiction of
N-[(3S,7S,8aS)-2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
N-[(3S,7S,8aS)-2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Compound characteristics
| Compound ID: | S974-4831 |
| Compound Name: | N-[(3S,7S,8aS)-2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide |
| Molecular Weight: | 440.35 |
| Molecular Formula: | C20 H27 Br F N3 O2 |
| Smiles: | CC(C)C[C@H]1C(N2C[C@H](C[C@H]2CN1Cc1ccc(cc1F)[Br])NC(C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.0733 |
| logD: | 3.0578 |
| logSw: | -3.3004 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.368 |
| InChI Key: | KFNOKBWMWJSGPA-LMMKCTJWSA-N |