{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone
Chemical Structure Depiction of
{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone
{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone
Compound characteristics
| Compound ID: | T501-1335 |
| Compound Name: | {3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone |
| Molecular Weight: | 473.58 |
| Molecular Formula: | C26 H31 N7 O2 |
| Smiles: | CCn1c(C)c(c(C)n1)c1cc(C(N2CCCC(Cc3nncn3Cc3ccccc3)C2)=O)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5289 |
| logD: | 2.5289 |
| logSw: | -2.7352 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 77.694 |
| InChI Key: | NTYMNRKCBQRRLV-OAQYLSRUSA-N |