rel-(5aR,8aR)-7-benzoyl-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-benzoyl-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-benzoyl-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0336 |
| Compound Name: | rel-(5aR,8aR)-7-benzoyl-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 362.47 |
| Molecular Formula: | C23 H26 N2 O2 |
| Smiles: | Cc1ccc(CN2C(CCC[C@@H]3CN(C[C@H]23)C(c2ccccc2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9378 |
| logD: | 2.9378 |
| logSw: | -3.019 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.184 |
| InChI Key: | AIIAGIBDHKHGRN-SFTDATJTSA-N |