2-methyl-1-[rel-(3aR,7aR)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(thiophene-2-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one
Chemical Structure Depiction of
2-methyl-1-[rel-(3aR,7aR)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(thiophene-2-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one
2-methyl-1-[rel-(3aR,7aR)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(thiophene-2-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one
Compound characteristics
| Compound ID: | SB23-0644 |
| Compound Name: | 2-methyl-1-[rel-(3aR,7aR)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(thiophene-2-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C19 H25 N5 O2 S |
| Smiles: | CC(C)C(N1C[C@H]2CN(CC[C@]2(C1)c1nc(C)n[nH]1)C(c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8759 |
| logD: | 1.8754 |
| logSw: | -2.4628 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.117 |
| InChI Key: | UIZGEEQMDNTCCD-AUUYWEPGSA-N |