[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](thiophen-2-yl)methanone
Chemical Structure Depiction of
[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](thiophen-2-yl)methanone
[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | D116-0314 |
| Compound Name: | [5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](thiophen-2-yl)methanone |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C20 H17 N5 O2 S |
| Smiles: | COc1ccc(CNc2nc(c3cccnc3)nn2C(c2cccs2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8772 |
| logD: | 2.7279 |
| logSw: | -3.0498 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.307 |
| InChI Key: | HBXZIRFOKDTKEF-UHFFFAOYSA-N |