3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one
Chemical Structure Depiction of
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | S564-0442 |
| Compound Name: | 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C22 H28 N6 O |
| Smiles: | Cc1cc(C)n(CCC(N2CCC(CC2)Cc2nnc(c3ccccc3)[nH]2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.9708 |
| logD: | 1.935 |
| logSw: | -2.4848 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.849 |
| InChI Key: | YNVSGMGSKLSIGS-UHFFFAOYSA-N |