rel-(5aR,8aR)-7-[(1-acetylpiperidin-4-yl)acetyl]-1-benzyloctahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[(1-acetylpiperidin-4-yl)acetyl]-1-benzyloctahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[(1-acetylpiperidin-4-yl)acetyl]-1-benzyloctahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0238 |
| Compound Name: | rel-(5aR,8aR)-7-[(1-acetylpiperidin-4-yl)acetyl]-1-benzyloctahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 411.54 |
| Molecular Formula: | C24 H33 N3 O3 |
| Smiles: | CC(N1CCC(CC1)CC(N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.8877 |
| logD: | 1.8877 |
| logSw: | -2.0667 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.045 |
| InChI Key: | WQCFJTKOUQEYTB-VXKWHMMOSA-N |