rel-(5aR,8aR)-1-[(4-methylphenyl)methyl]-7-(3-methylthiophene-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(4-methylphenyl)methyl]-7-(3-methylthiophene-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(4-methylphenyl)methyl]-7-(3-methylthiophene-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0387 |
| Compound Name: | rel-(5aR,8aR)-1-[(4-methylphenyl)methyl]-7-(3-methylthiophene-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 382.52 |
| Molecular Formula: | C22 H26 N2 O2 S |
| Smiles: | Cc1ccc(CN2C(CCC[C@@H]3CN(C[C@H]23)C(c2c(C)ccs2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5451 |
| logD: | 3.5451 |
| logSw: | -3.4996 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.203 |
| InChI Key: | VWGTWGFRHSNLMH-RBUKOAKNSA-N |