2-methoxy-N-[(3S,5S)-1-[(4-methyl-1H-pyrazol-1-yl)acetyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
2-methoxy-N-[(3S,5S)-1-[(4-methyl-1H-pyrazol-1-yl)acetyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
2-methoxy-N-[(3S,5S)-1-[(4-methyl-1H-pyrazol-1-yl)acetyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB18-0626 |
| Compound Name: | 2-methoxy-N-[(3S,5S)-1-[(4-methyl-1H-pyrazol-1-yl)acetyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C21 H25 N7 O3 |
| Smiles: | Cc1cnn(CC(N2C[C@H](C[C@H]2c2nc(c3ccccc3)n[nH]2)NC(COC)=O)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 0.8572 |
| logD: | 0.851 |
| logSw: | -1.7387 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.072 |
| InChI Key: | CXPSEAAWLGRMKZ-SJORKVTESA-N |