N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-0471 |
| Compound Name: | N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 393.49 |
| Molecular Formula: | C21 H27 N7 O |
| Smiles: | CC(C)n1cc(CN2C[C@H]([C@@H](C2)c2nc(c3ccccc3)n[nH]2)NC(C)=O)cn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5289 |
| logD: | -4.8381 |
| logSw: | -2.2546 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.186 |
| InChI Key: | FUFWANDSVDOMCK-OALUTQOASA-N |