1-[6-benzyl-8-(3-methyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]octan-2-yl]-2-(4-ethoxyphenyl)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-(4-ethoxyphenyl)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-(4-ethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SC55-1254 |
| Compound Name: | 1-[6-benzyl-8-(3-methyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]octan-2-yl]-2-(4-ethoxyphenyl)ethan-1-one |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C26 H31 N5 O2 |
| Smiles: | CCOc1ccc(CC(N2CC3(CN(CC3c3nc(C)n[nH]3)Cc3ccccc3)C2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8952 |
| logD: | -1.4057 |
| logSw: | -3.0731 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.772 |
| InChI Key: | PHRJTSNTFYFZLH-HSZRJFAPSA-N |