rel-(5aR,8aR)-1-benzyl-7-[(2,4,5-trimethoxyphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-[(2,4,5-trimethoxyphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-[(2,4,5-trimethoxyphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1050 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-[(2,4,5-trimethoxyphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C25 H32 N2 O4 |
| Smiles: | COc1cc(c(cc1CN1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9049 |
| logD: | 1.6312 |
| logSw: | -3.1943 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.16 |
| InChI Key: | COSITRQDCLURIS-FPOVZHCZSA-N |