[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl](3,4,5-trimethoxyphenyl)methanone
Chemical Structure Depiction of
[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl](3,4,5-trimethoxyphenyl)methanone
[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl](3,4,5-trimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | D116-0209 |
| Compound Name: | [3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl](3,4,5-trimethoxyphenyl)methanone |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C22 H21 N5 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(n1c(NCc2cccs2)nc(c2cccnc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6964 |
| logD: | 2.547 |
| logSw: | -2.871 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.741 |
| InChI Key: | OMYIUWGDNCWRHI-UHFFFAOYSA-N |