1-[6-methyl-8-(3-phenyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]octan-2-yl]-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-[6-methyl-8-(3-phenyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]octan-2-yl]-2-(thiophen-2-yl)ethan-1-one
1-[6-methyl-8-(3-phenyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]octan-2-yl]-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | SC55-0043 |
| Compound Name: | 1-[6-methyl-8-(3-phenyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]octan-2-yl]-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 393.51 |
| Molecular Formula: | C21 H23 N5 O S |
| Smiles: | CN1CC(c2nc(c3ccccc3)n[nH]2)C2(C1)CN(C2)C(Cc1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3861 |
| logD: | -2.341 |
| logSw: | -2.7449 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.719 |
| InChI Key: | NATLKSUXAASEST-QGZVFWFLSA-N |