N-[(3S,7S,8aS)-2-[(4-chlorophenyl)acetyl]-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Chemical Structure Depiction of
N-[(3S,7S,8aS)-2-[(4-chlorophenyl)acetyl]-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
N-[(3S,7S,8aS)-2-[(4-chlorophenyl)acetyl]-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Compound characteristics
| Compound ID: | S974-0113 |
| Compound Name: | N-[(3S,7S,8aS)-2-[(4-chlorophenyl)acetyl]-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide |
| Molecular Weight: | 405.92 |
| Molecular Formula: | C21 H28 Cl N3 O3 |
| Smiles: | CC(C)C[C@H]1C(N2C[C@H](C[C@H]2CN1C(Cc1ccc(cc1)[Cl])=O)NC(C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.3548 |
| logD: | 2.3548 |
| logSw: | -3.3148 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.59 |
| InChI Key: | RUXNQGXFXKRIMT-QRVBRYPASA-N |