rel-(5aR,8aR)-1-benzyl-7-[(4-methylphenyl)methanesulfonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-[(4-methylphenyl)methanesulfonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-[(4-methylphenyl)methanesulfonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1157 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-[(4-methylphenyl)methanesulfonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 412.55 |
| Molecular Formula: | C23 H28 N2 O3 S |
| Smiles: | Cc1ccc(CS(N2C[C@H]3CCCC(N(Cc4ccccc4)[C@H]3C2)=O)(=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9017 |
| logD: | 2.9017 |
| logSw: | -3.2652 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.141 |
| InChI Key: | OZKHFSCHJRVPKB-FCHUYYIVSA-N |