rel-(5aR,8aR)-7-[(3-methylthiophen-2-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[(3-methylthiophen-2-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[(3-methylthiophen-2-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0055 |
| Compound Name: | rel-(5aR,8aR)-7-[(3-methylthiophen-2-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 264.39 |
| Molecular Formula: | C14 H20 N2 O S |
| Smiles: | Cc1ccsc1CN1C[C@H]2CCCC(N[C@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6074 |
| logD: | 0.8077 |
| logSw: | -2.3994 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.9839 |
| InChI Key: | VNSMIRNEQBZDGW-NWDGAFQWSA-N |