2-methyl-1-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]propan-1-one
Chemical Structure Depiction of
2-methyl-1-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]propan-1-one
2-methyl-1-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]propan-1-one
Compound characteristics
| Compound ID: | D116-0184 |
| Compound Name: | 2-methyl-1-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]propan-1-one |
| Molecular Weight: | 327.41 |
| Molecular Formula: | C16 H17 N5 O S |
| Smiles: | CC(C)C(n1c(NCc2cccs2)nc(c2cccnc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3652 |
| logD: | 2.2158 |
| logSw: | -2.24 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.035 |
| InChI Key: | VDUYGELMUIWSNH-UHFFFAOYSA-N |