2-methoxy-1-[rel-(3aR,7aR)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-2-(3-phenylpropyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
2-methoxy-1-[rel-(3aR,7aR)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-2-(3-phenylpropyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
2-methoxy-1-[rel-(3aR,7aR)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-2-(3-phenylpropyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB23-0689 |
| Compound Name: | 2-methoxy-1-[rel-(3aR,7aR)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-2-(3-phenylpropyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 397.52 |
| Molecular Formula: | C22 H31 N5 O2 |
| Smiles: | Cc1nc([C@]23CCN(C[C@@H]3CN(CCCc3ccccc3)C2)C(COC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6329 |
| logD: | -2.6073 |
| logSw: | -1.8545 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.058 |
| InChI Key: | YHIIJYYJVFTHJM-SIKLNZKXSA-N |