rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(propane-2-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(propane-2-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(propane-2-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0175 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(propane-2-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 368.47 |
| Molecular Formula: | C18 H25 F N2 O3 S |
| Smiles: | CC(C)S(N1C[C@H]2CCCC(N(Cc3cccc(c3)F)[C@H]2C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1765 |
| logD: | 2.1765 |
| logSw: | -2.6066 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.519 |
| InChI Key: | JMJJVGSBSJHUGZ-DOTOQJQBSA-N |