rel-(5aR,8aR)-7-(1-phenylcyclopropane-1-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(1-phenylcyclopropane-1-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(1-phenylcyclopropane-1-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0854 |
| Compound Name: | rel-(5aR,8aR)-7-(1-phenylcyclopropane-1-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 298.38 |
| Molecular Formula: | C18 H22 N2 O2 |
| Smiles: | C1CC(N[C@H]2CN(C[C@H]2C1)C(C1(CC1)c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2606 |
| logD: | 1.2606 |
| logSw: | -1.9119 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.133 |
| InChI Key: | KDUIEXBXSZMLFY-ZFWWWQNUSA-N |