1-[rel-(3aR,7aR)-5-(methoxyacetyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-5-(methoxyacetyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one--hydrogen chloride (1/1)
1-[rel-(3aR,7aR)-5-(methoxyacetyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | SB23-0676 |
| Compound Name: | 1-[rel-(3aR,7aR)-5-(methoxyacetyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 371.87 |
| Molecular Formula: | C16 H25 N5 O3 |
| Salt: | HCl |
| Smiles: | CCC(N1C[C@H]2CN(CC[C@]2(C1)c1nc(C)n[nH]1)C(COC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.4522 |
| logD: | -0.4527 |
| logSw: | -0.7646 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.74 |
| InChI Key: | NXHAVHNPLNGFBS-MLGOLLRUSA-N |