rel-(5aR,8aR)-7-(4-fluorobenzene-1-sulfonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(4-fluorobenzene-1-sulfonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(4-fluorobenzene-1-sulfonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0397 |
| Compound Name: | rel-(5aR,8aR)-7-(4-fluorobenzene-1-sulfonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 416.51 |
| Molecular Formula: | C22 H25 F N2 O3 S |
| Smiles: | Cc1ccc(CN2C(CCC[C@@H]3CN(C[C@H]23)S(c2ccc(cc2)F)(=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3136 |
| logD: | 3.3136 |
| logSw: | -3.6169 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.247 |
| InChI Key: | CZKCOSNUMQPDJM-GHTZIAJQSA-N |