2-{[3-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane
Chemical Structure Depiction of
2-{[3-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane
2-{[3-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane
Compound characteristics
| Compound ID: | SC66-0123 |
| Compound Name: | 2-{[3-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C22 H28 N6 O |
| Smiles: | Cc1ccc(cc1)c1c(CN2CC(c3nncn3C)C3(CCOCC3)C2)c[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8623 |
| logD: | -1.6104 |
| logSw: | -2.2336 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.135 |
| InChI Key: | BJWGXIHYRCRVKA-LJQANCHMSA-N |