N-{(7S,8aS)-2-[(4-chlorophenyl)methyl]-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
Chemical Structure Depiction of
N-{(7S,8aS)-2-[(4-chlorophenyl)methyl]-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
N-{(7S,8aS)-2-[(4-chlorophenyl)methyl]-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
Compound characteristics
| Compound ID: | S974-2002 |
| Compound Name: | N-{(7S,8aS)-2-[(4-chlorophenyl)methyl]-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide |
| Molecular Weight: | 321.8 |
| Molecular Formula: | C16 H20 Cl N3 O2 |
| Smiles: | CC(N[C@H]1C[C@H]2CN(CC(N2C1)=O)Cc1ccc(cc1)[Cl])=O |
| Stereo: | ABSOLUTE |
| logP: | 0.8465 |
| logD: | 0.829 |
| logSw: | -2.5122 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.943 |
| InChI Key: | YKNFQYSXROHVDL-HUUCEWRRSA-N |