cyclopropyl[rel-(3aR,7aS)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-{[4-(propan-2-yl)phenyl]methyl}octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
Chemical Structure Depiction of
cyclopropyl[rel-(3aR,7aS)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-{[4-(propan-2-yl)phenyl]methyl}octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
cyclopropyl[rel-(3aR,7aS)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-{[4-(propan-2-yl)phenyl]methyl}octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
Compound characteristics
| Compound ID: | SB23-0908 |
| Compound Name: | cyclopropyl[rel-(3aR,7aS)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-{[4-(propan-2-yl)phenyl]methyl}octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone |
| Molecular Weight: | 407.56 |
| Molecular Formula: | C24 H33 N5 O |
| Smiles: | CC(C)c1ccc(CN2CC[C@]3(CN(C[C@H]3C2)C(C2CC2)=O)c2nc(C)n[nH]2)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4794 |
| logD: | 1.563 |
| logSw: | -3.3657 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.435 |
| InChI Key: | OCRVQKAYEARRQJ-XUZZJYLKSA-N |