rel-(5aR,8aR)-1-benzyl-7-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0209 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 437.58 |
| Molecular Formula: | C26 H35 N3 O3 |
| Smiles: | Cc1cc(C(N2C[C@H]3CCCC(N(Cc4ccccc4)[C@H]3C2)=O)=O)c(C)n1CCCOC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4846 |
| logD: | 2.4846 |
| logSw: | -2.9287 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.698 |
| InChI Key: | JTMQNIAXLGNYDY-UPVQGACJSA-N |