rel-(5aR,8aR)-1-(3-acetamidopyridin-2-yl)-N-cyclopentyloctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,8aR)-1-(3-acetamidopyridin-2-yl)-N-cyclopentyloctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
rel-(5aR,8aR)-1-(3-acetamidopyridin-2-yl)-N-cyclopentyloctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Compound characteristics
| Compound ID: | SD16-0772 |
| Compound Name: | rel-(5aR,8aR)-1-(3-acetamidopyridin-2-yl)-N-cyclopentyloctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide |
| Molecular Weight: | 385.51 |
| Molecular Formula: | C21 H31 N5 O2 |
| Smiles: | CC(Nc1cccnc1N1CCCC[C@@H]2CN(C[C@H]12)C(NC1CCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1025 |
| logD: | 2.0972 |
| logSw: | -2.5728 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.7 |
| InChI Key: | XZDFATQNNRZJNV-QFBILLFUSA-N |