2-methyl-1-[rel-(3aR,7aS)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(3-phenylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-methyl-1-[rel-(3aR,7aS)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(3-phenylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one--hydrogen chloride (1/1)
2-methyl-1-[rel-(3aR,7aS)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(3-phenylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | SB23-1250 |
| Compound Name: | 2-methyl-1-[rel-(3aR,7aS)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(3-phenylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 432.01 |
| Molecular Formula: | C23 H33 N5 O |
| Salt: | HCl |
| Smiles: | CC(C)C(N1C[C@H]2CN(CCCc3ccccc3)CC[C@]2(C1)c1nc(C)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1855 |
| logD: | 1.1083 |
| logSw: | -3.2414 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.162 |
| InChI Key: | NKAWEVPOXKVGAQ-NFBKMPQASA-N |