2-methoxy-1-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-methoxy-1-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethan-1-one
2-methoxy-1-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | D116-0185 |
| Compound Name: | 2-methoxy-1-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethan-1-one |
| Molecular Weight: | 329.38 |
| Molecular Formula: | C15 H15 N5 O2 S |
| Smiles: | COCC(n1c(NCc2cccs2)nc(c2cccnc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.097 |
| logD: | 0.9476 |
| logSw: | -1.4895 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.931 |
| InChI Key: | AQUNYXSLUGSGMV-UHFFFAOYSA-N |