2-{[4-ethyl-5-(1-ethyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide
Chemical Structure Depiction of
2-{[4-ethyl-5-(1-ethyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide
2-{[4-ethyl-5-(1-ethyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide
Compound characteristics
| Compound ID: | Y503-1108 |
| Compound Name: | 2-{[4-ethyl-5-(1-ethyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide |
| Molecular Weight: | 320.41 |
| Molecular Formula: | C14 H20 N6 O S |
| Smiles: | CCn1c(c2ccn(CC)n2)nnc1SCC(NCC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7108 |
| logD: | 0.7107 |
| logSw: | -2.0908 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.935 |
| InChI Key: | COKQZOWXSWOLFP-UHFFFAOYSA-N |