1-[6-benzyl-8-(3-methyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]octan-2-yl]propan-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]propan-1-one
1-[6-benzyl-8-(3-methyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]octan-2-yl]propan-1-one
Compound characteristics
| Compound ID: | SC55-0591 |
| Compound Name: | 1-[6-benzyl-8-(3-methyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]octan-2-yl]propan-1-one |
| Molecular Weight: | 339.44 |
| Molecular Formula: | C19 H25 N5 O |
| Smiles: | CCC(N1CC2(CN(CC2c2nc(C)n[nH]2)Cc2ccccc2)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.459 |
| logD: | -2.842 |
| logSw: | -1.9625 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.92 |
| InChI Key: | VLSMBEBVFCTWNG-MRXNPFEDSA-N |