rel-(5aR,8aR)-1-benzyl-7-(3,5-dimethoxybenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(3,5-dimethoxybenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(3,5-dimethoxybenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1093 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(3,5-dimethoxybenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C24 H28 N2 O4 |
| Smiles: | COc1cc(cc(c1)OC)C(N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8192 |
| logD: | 2.8192 |
| logSw: | -3.2383 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.272 |
| InChI Key: | OUKRGDMFDPJKTN-AVRDEDQJSA-N |