rel-(5aR,8aR)-1-benzyl-7-[(5-methoxy-1-methyl-1H-indol-3-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-[(5-methoxy-1-methyl-1H-indol-3-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-[(5-methoxy-1-methyl-1H-indol-3-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1139 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-[(5-methoxy-1-methyl-1H-indol-3-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 417.55 |
| Molecular Formula: | C26 H31 N3 O2 |
| Smiles: | Cn1cc(CN2C[C@H]3CCCC(N(Cc4ccccc4)[C@H]3C2)=O)c2cc(ccc12)OC |
| Stereo: | RELATIVE |
| logP: | 3.5067 |
| logD: | 1.327 |
| logSw: | -3.6831 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.372 |
| InChI Key: | BDKAXQVHBGNKKM-CPJSRVTESA-N |