rel-(5aR,8aR)-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)-7-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0012 |
| Compound Name: | rel-(5aR,8aR)-7-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 347.46 |
| Molecular Formula: | C19 H29 N3 O3 |
| Smiles: | Cc1cc(C(N2C[C@H]3CCCC(N[C@H]3C2)=O)=O)c(C)n1CCCOC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6327 |
| logD: | 0.6327 |
| logSw: | -1.6494 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.395 |
| InChI Key: | TWQLQICXTRARPZ-RDJZCZTQSA-N |