1-{6-benzyl-8-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2,6-diazaspiro[3.4]octan-2-yl}-3-methylbutan-1-one
Chemical Structure Depiction of
1-{6-benzyl-8-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2,6-diazaspiro[3.4]octan-2-yl}-3-methylbutan-1-one
1-{6-benzyl-8-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2,6-diazaspiro[3.4]octan-2-yl}-3-methylbutan-1-one
Compound characteristics
| Compound ID: | SC55-0519 |
| Compound Name: | 1-{6-benzyl-8-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2,6-diazaspiro[3.4]octan-2-yl}-3-methylbutan-1-one |
| Molecular Weight: | 395.55 |
| Molecular Formula: | C23 H33 N5 O |
| Smiles: | CC(C)CC(N1CC2(CN(CC2c2nc(C(C)C)n[nH]2)Cc2ccccc2)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3301 |
| logD: | -0.9709 |
| logSw: | -3.4843 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.307 |
| InChI Key: | XLAIGWSPTNPUDY-LJQANCHMSA-N |