2-methoxy-1-[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-methoxy-1-[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one
2-methoxy-1-[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | D116-0299 |
| Compound Name: | 2-methoxy-1-[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one |
| Molecular Weight: | 353.38 |
| Molecular Formula: | C18 H19 N5 O3 |
| Smiles: | COCC(n1c(NCc2ccc(cc2)OC)nc(c2cccnc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1043 |
| logD: | 0.955 |
| logSw: | -1.0487 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.457 |
| InChI Key: | RFGBVVPLGKLNIY-UHFFFAOYSA-N |