N-{(7S,8aS)-2-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
Chemical Structure Depiction of
N-{(7S,8aS)-2-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
N-{(7S,8aS)-2-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
Compound characteristics
| Compound ID: | S974-0392 |
| Compound Name: | N-{(7S,8aS)-2-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide |
| Molecular Weight: | 401.85 |
| Molecular Formula: | C19 H20 Cl N5 O3 |
| Smiles: | CC(N[C@H]1C[C@H]2CN(CC(N2C1)=O)C(c1cc(c2cccc(c2)[Cl])n[nH]1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.2762 |
| logD: | 1.2758 |
| logSw: | -2.7433 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.349 |
| InChI Key: | RZQADYWAQREYQS-HUUCEWRRSA-N |