1-[2-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[2-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl]-2-methylpropan-1-one
1-[2-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | SB59-0440 |
| Compound Name: | 1-[2-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl]-2-methylpropan-1-one |
| Molecular Weight: | 449.56 |
| Molecular Formula: | C24 H31 N7 O2 |
| Smiles: | CC(C)C(N1CC(c2nncn2C)C2(CN(Cc3c[nH]nc3c3ccc(cc3)OC)C2)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4381 |
| logD: | -4.1044 |
| logSw: | -2.1504 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.696 |
| InChI Key: | QUECIHSXSFQGHI-HXUWFJFHSA-N |