N-[(7S,8aS)-2-(5-chloro-2-fluorobenzoyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Chemical Structure Depiction of
N-[(7S,8aS)-2-(5-chloro-2-fluorobenzoyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
N-[(7S,8aS)-2-(5-chloro-2-fluorobenzoyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Compound characteristics
| Compound ID: | S974-1950 |
| Compound Name: | N-[(7S,8aS)-2-(5-chloro-2-fluorobenzoyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide |
| Molecular Weight: | 353.78 |
| Molecular Formula: | C16 H17 Cl F N3 O3 |
| Smiles: | CC(N[C@H]1C[C@H]2CN(CC(N2C1)=O)C(c1cc(ccc1F)[Cl])=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.6927 |
| logD: | 0.6927 |
| logSw: | -2.8178 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.859 |
| InChI Key: | XRQPVEPVFCJKHK-VXGBXAGGSA-N |