2-(4-methylphenyl)-1-{8-[4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}ethan-1-one
Chemical Structure Depiction of
2-(4-methylphenyl)-1-{8-[4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}ethan-1-one
2-(4-methylphenyl)-1-{8-[4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}ethan-1-one
Compound characteristics
| Compound ID: | SD74-1072 |
| Compound Name: | 2-(4-methylphenyl)-1-{8-[4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}ethan-1-one |
| Molecular Weight: | 366.51 |
| Molecular Formula: | C22 H30 N4 O |
| Smiles: | CC(C)Cn1cnnc1C1CN(CC12CCC2)C(Cc1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0758 |
| logD: | 3.0758 |
| logSw: | -3.1466 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.2 |
| InChI Key: | IJMCGZXDTHFXBB-IBGZPJMESA-N |