rel-(5aR,8aR)-1-[(4-methylphenyl)methyl]-7-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(4-methylphenyl)methyl]-7-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(4-methylphenyl)methyl]-7-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0303 |
| Compound Name: | rel-(5aR,8aR)-1-[(4-methylphenyl)methyl]-7-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 394.52 |
| Molecular Formula: | C23 H30 N4 O2 |
| Smiles: | Cc1ccc(CN2C(CCC[C@@H]3CN(C[C@H]23)C(CCn2cc(C)cn2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9659 |
| logD: | 1.9659 |
| logSw: | -2.1013 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.412 |
| InChI Key: | DMPSGKYPHNPXOX-SFTDATJTSA-N |