rel-(5aR,8aR)-1-benzyl-7-[(3-methyl-1H-pyrazol-1-yl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-[(3-methyl-1H-pyrazol-1-yl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-[(3-methyl-1H-pyrazol-1-yl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0237 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-[(3-methyl-1H-pyrazol-1-yl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C21 H26 N4 O2 |
| Smiles: | Cc1ccn(CC(N2C[C@H]3CCCC(N(Cc4ccccc4)[C@H]3C2)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0404 |
| logD: | 1.0404 |
| logSw: | -1.696 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.124 |
| InChI Key: | JOFSDFGRCGEDHF-OALUTQOASA-N |