cyclopropyl[rel-(3aR,7aS)-5-[(2,4-dimethylphenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
Chemical Structure Depiction of
cyclopropyl[rel-(3aR,7aS)-5-[(2,4-dimethylphenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
cyclopropyl[rel-(3aR,7aS)-5-[(2,4-dimethylphenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
Compound characteristics
| Compound ID: | S858-1287 |
| Compound Name: | cyclopropyl[rel-(3aR,7aS)-5-[(2,4-dimethylphenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone |
| Molecular Weight: | 342.48 |
| Molecular Formula: | C21 H30 N2 O2 |
| Smiles: | Cc1ccc(CN2CC[C@H]3CN(C[C@]3(C2)CO)C(C2CC2)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8163 |
| logD: | 0.6607 |
| logSw: | -2.6208 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.152 |
| InChI Key: | IZZDLYOZTSSMMW-TZIWHRDSSA-N |