N-{(3S,7S,8aS)-2-[(3-fluoropyridin-4-yl)methyl]-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
Chemical Structure Depiction of
N-{(3S,7S,8aS)-2-[(3-fluoropyridin-4-yl)methyl]-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
N-{(3S,7S,8aS)-2-[(3-fluoropyridin-4-yl)methyl]-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
Compound characteristics
| Compound ID: | S974-1237 |
| Compound Name: | N-{(3S,7S,8aS)-2-[(3-fluoropyridin-4-yl)methyl]-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide |
| Molecular Weight: | 320.36 |
| Molecular Formula: | C16 H21 F N4 O2 |
| Smiles: | CC(N[C@H]1C[C@H]2CN(Cc3ccncc3F)[C@@H](C)C(N2C1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.1123 |
| logD: | -0.1171 |
| logSw: | -1.1117 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.524 |
| InChI Key: | HXTYLZIAKKUHRW-ZLKJLUDKSA-N |