2-{[3-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl}-4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane
Chemical Structure Depiction of
2-{[3-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl}-4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane
2-{[3-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl}-4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane
Compound characteristics
| Compound ID: | SC69-0660 |
| Compound Name: | 2-{[3-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl}-4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane |
| Molecular Weight: | 404.56 |
| Molecular Formula: | C24 H32 N6 |
| Smiles: | CCn1cnnc1C1CN(Cc2c[nH]nc2c2ccc(C)c(C)c2)CC12CCCC2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4743 |
| logD: | 0.0063 |
| logSw: | -3.5215 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.761 |
| InChI Key: | HDGOCXBVLFVECT-OAQYLSRUSA-N |