rel-(5aR,8aR)-7-(5-chloro-2-methoxybenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(5-chloro-2-methoxybenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(5-chloro-2-methoxybenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0814 |
| Compound Name: | rel-(5aR,8aR)-7-(5-chloro-2-methoxybenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 322.79 |
| Molecular Formula: | C16 H19 Cl N2 O3 |
| Smiles: | COc1ccc(cc1C(N1C[C@H]2CCCC(N[C@H]2C1)=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4227 |
| logD: | 1.4227 |
| logSw: | -2.8055 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.512 |
| InChI Key: | IFZYVQRSKRZKCQ-GXFFZTMASA-N |