rel-(5aR,8aR)-7-{5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-{5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-{5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0030 |
| Compound Name: | rel-(5aR,8aR)-7-{5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C21 H25 N3 O4 |
| Smiles: | Cc1ccc(cc1)OCc1c(C(N2C[C@H]3CCCC(N[C@H]3C2)=O)=O)noc1C |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9176 |
| logD: | 1.9176 |
| logSw: | -2.3416 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.341 |
| InChI Key: | RNYQKYIPZIOJRN-YJBOKZPZSA-N |