2-methoxy-N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
2-methoxy-N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide
2-methoxy-N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-0563 |
| Compound Name: | 2-methoxy-N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 437.5 |
| Molecular Formula: | C22 H27 N7 O3 |
| Smiles: | Cc1c(C(N2C[C@H]([C@@H](C2)c2nc(c3ccccc3)n[nH]2)NC(COC)=O)=O)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2378 |
| logD: | 0.2334 |
| logSw: | -1.9836 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.291 |
| InChI Key: | SJHGOIYQGOCYFQ-IAGOWNOFSA-N |