4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-{[4-(trifluoromethyl)phenyl]methyl}-2-azaspiro[4.4]nonane
Chemical Structure Depiction of
4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-{[4-(trifluoromethyl)phenyl]methyl}-2-azaspiro[4.4]nonane
4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-{[4-(trifluoromethyl)phenyl]methyl}-2-azaspiro[4.4]nonane
Compound characteristics
| Compound ID: | SC69-0023 |
| Compound Name: | 4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-{[4-(trifluoromethyl)phenyl]methyl}-2-azaspiro[4.4]nonane |
| Molecular Weight: | 364.41 |
| Molecular Formula: | C19 H23 F3 N4 |
| Smiles: | Cn1cnnc1C1CN(Cc2ccc(cc2)C(F)(F)F)CC12CCCC2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8304 |
| logD: | 0.4131 |
| logSw: | -2.9762 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 29.4025 |
| InChI Key: | QEDYVLUBHAEUGV-INIZCTEOSA-N |