rel-(5aR,8aR)-1-benzyl-7-(5-methylpyrazine-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(5-methylpyrazine-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(5-methylpyrazine-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0295 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(5-methylpyrazine-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 364.45 |
| Molecular Formula: | C21 H24 N4 O2 |
| Smiles: | Cc1cnc(cn1)C(N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5007 |
| logD: | 1.5007 |
| logSw: | -1.5814 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.266 |
| InChI Key: | FQHXDNOZMAMNMJ-HKUYNNGSSA-N |