3-[(2S,4S)-4-(benzyloxy)-1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
3-[(2S,4S)-4-(benzyloxy)-1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
3-[(2S,4S)-4-(benzyloxy)-1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB29-0226 |
| Compound Name: | 3-[(2S,4S)-4-(benzyloxy)-1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 380.49 |
| Molecular Formula: | C21 H28 N6 O |
| Smiles: | CC(C)n1cc(CN2C[C@H](C[C@H]2c2nc(C)[nH]n2)OCc2ccccc2)cn1 |
| Stereo: | ABSOLUTE |
| logP: | 2.3633 |
| logD: | -0.9391 |
| logSw: | -2.5059 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.231 |
| InChI Key: | CGMUKLUZIPCFAJ-VQTJNVASSA-N |