4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-2-{[3-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl}-8-oxa-2-azaspiro[4.5]decane
Chemical Structure Depiction of
4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-2-{[3-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl}-8-oxa-2-azaspiro[4.5]decane
4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-2-{[3-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl}-8-oxa-2-azaspiro[4.5]decane
Compound characteristics
| Compound ID: | SC66-0815 |
| Compound Name: | 4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-2-{[3-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl}-8-oxa-2-azaspiro[4.5]decane |
| Molecular Weight: | 446.6 |
| Molecular Formula: | C26 H34 N6 O |
| Smiles: | Cc1ccc(cc1C)c1c(CN2CC(c3nncn3CC3CC3)C3(CCOCC3)C2)c[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4339 |
| logD: | -0.1242 |
| logSw: | -3.5012 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.831 |
| InChI Key: | QSAQNFRPCLSXDU-HSZRJFAPSA-N |