cyclopropyl{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone
Chemical Structure Depiction of
cyclopropyl{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone
cyclopropyl{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone
Compound characteristics
| Compound ID: | S858-1228 |
| Compound Name: | cyclopropyl{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone |
| Molecular Weight: | 317.43 |
| Molecular Formula: | C18 H27 N3 O2 |
| Smiles: | Cn1cccc1CN1CC[C@H]2CN(C[C@]2(C1)CO)C(C1CC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1512 |
| logD: | -0.103 |
| logSw: | -1.631 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.05 |
| InChI Key: | NQVRLOCTAVADOU-CRAIPNDOSA-N |