rel-(5aR,8aR)-7-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0063 |
| Compound Name: | rel-(5aR,8aR)-7-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 339.39 |
| Molecular Formula: | C19 H21 N3 O3 |
| Smiles: | Cc1cccc(c1)c1c(C(N2C[C@H]3CCCC(N[C@H]3C2)=O)=O)nco1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4959 |
| logD: | 1.4959 |
| logSw: | -2.0493 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.717 |
| InChI Key: | QXDXTUJZILLZIY-GJZGRUSLSA-N |