(3,5-dimethylphenyl)[8-(5-propyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone
Chemical Structure Depiction of
(3,5-dimethylphenyl)[8-(5-propyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone
(3,5-dimethylphenyl)[8-(5-propyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone
Compound characteristics
| Compound ID: | SC70-0374 |
| Compound Name: | (3,5-dimethylphenyl)[8-(5-propyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone |
| Molecular Weight: | 352.48 |
| Molecular Formula: | C21 H28 N4 O |
| Smiles: | CCCc1nc(C2CN(CC23CCC3)C(c2cc(C)cc(C)c2)=O)n[nH]1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7675 |
| logD: | 3.766 |
| logSw: | -3.804 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.147 |
| InChI Key: | VMFAIOFOCJNKBE-KRWDZBQOSA-N |