rel-(5aR,8aR)-1-benzyl-7-cyclohexyloctahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-cyclohexyloctahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-cyclohexyloctahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1115 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-cyclohexyloctahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 326.48 |
| Molecular Formula: | C21 H30 N2 O |
| Smiles: | C1CCC(CC1)N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4292 |
| logD: | 2.2608 |
| logSw: | -3.4498 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 19.8216 |
| InChI Key: | GWHSKMPNPQHGRQ-ICSRJNTNSA-N |