1-[6-benzyl-8-(3-methyl-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-benzyl-8-(3-methyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]octan-2-yl]-2-(thiophen-2-yl)ethan-1-one
1-[6-benzyl-8-(3-methyl-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: | SC55-0641 |
| Compound Name: | 1-[6-benzyl-8-(3-methyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]octan-2-yl]-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 407.54 |
| Molecular Formula: | C22 H25 N5 O S |
| Smiles: | Cc1nc(C2CN(Cc3ccccc3)CC23CN(C3)C(Cc2cccs2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0775 |
| logD: | -2.2234 |
| logSw: | -2.5067 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.667 |
| InChI Key: | PKXHBKBDIIFPQB-LJQANCHMSA-N |