1-[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-3-methylbutan-1-one
Chemical Structure Depiction of
1-[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-3-methylbutan-1-one
1-[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-3-methylbutan-1-one
Compound characteristics
| Compound ID: | D116-0320 |
| Compound Name: | 1-[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-3-methylbutan-1-one |
| Molecular Weight: | 365.43 |
| Molecular Formula: | C20 H23 N5 O2 |
| Smiles: | CC(C)CC(n1c(NCc2ccc(cc2)OC)nc(c2cccnc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8051 |
| logD: | 2.6558 |
| logSw: | -2.9306 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.033 |
| InChI Key: | JGLZAGGMZRVTFO-UHFFFAOYSA-N |