rel-(5aR,8aR)-7-[(3-chlorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[(3-chlorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[(3-chlorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0803 |
| Compound Name: | rel-(5aR,8aR)-7-[(3-chlorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 278.78 |
| Molecular Formula: | C15 H19 Cl N2 O |
| Smiles: | C1CC(N[C@H]2CN(Cc3cccc(c3)[Cl])C[C@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9761 |
| logD: | 1.1444 |
| logSw: | -2.8834 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.9655 |
| InChI Key: | KLEAJRUQDGFGJU-GXTWGEPZSA-N |