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
1-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]propan-1-one
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: | D116-0182 |
| Compound Name: | 1-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]propan-1-one |
| Molecular Weight: | 313.38 |
| Molecular Formula: | C15 H15 N5 O S |
| Smiles: | CCC(n1c(NCc2cccs2)nc(c2cccnc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0183 |
| logD: | 1.8689 |
| logSw: | -1.9346 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.507 |
| InChI Key: | USPONIIDTPKNCY-UHFFFAOYSA-N |