rel-(5aR,8aR)-7-cycloheptyloctahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-cycloheptyloctahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-cycloheptyloctahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0805 |
| Compound Name: | rel-(5aR,8aR)-7-cycloheptyloctahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 250.38 |
| Molecular Formula: | C15 H26 N2 O |
| Smiles: | C1CCCC(CC1)N1C[C@H]2CCCC(N[C@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0731 |
| logD: | 0.063 |
| logSw: | -2.2357 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.8495 |
| InChI Key: | KEHAAVBZTVJPEI-JSGCOSHPSA-N |