rel-(5aR,8aR)-1-benzyl-7-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1129 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 438.59 |
| Molecular Formula: | C25 H30 N2 O3 S |
| Smiles: | C1CCc2cc(ccc2C1)S(N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.2023 |
| logD: | 4.2023 |
| logSw: | -4.3267 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.168 |
| InChI Key: | IXCCCNOGROGEQU-LADGPHEKSA-N |