[5-{[(furan-2-yl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](3,4,5-trimethoxyphenyl)methanone
Chemical Structure Depiction of
[5-{[(furan-2-yl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](3,4,5-trimethoxyphenyl)methanone
[5-{[(furan-2-yl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](3,4,5-trimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | D116-0247 |
| Compound Name: | [5-{[(furan-2-yl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](3,4,5-trimethoxyphenyl)methanone |
| Molecular Weight: | 435.44 |
| Molecular Formula: | C22 H21 N5 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)C(n1c(NCc2ccco2)nc(c2cccnc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.472 |
| logD: | 2.3227 |
| logSw: | -2.5435 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.472 |
| InChI Key: | MZHRWVJBMAWIDZ-UHFFFAOYSA-N |