rel-(5aR,8aR)-1-benzyl-7-(4-methoxy-2-methylbenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(4-methoxy-2-methylbenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(4-methoxy-2-methylbenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0257 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(4-methoxy-2-methylbenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C24 H28 N2 O3 |
| Smiles: | Cc1cc(ccc1C(N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O)=O)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.191 |
| logD: | 3.191 |
| logSw: | -3.3448 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.728 |
| InChI Key: | YNBRMJDHRHYMGV-UGKGYDQZSA-N |