N-(3-ethylphenyl)-2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-ethylphenyl)-2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-ethylphenyl)-2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-9685 |
| Compound Name: | N-(3-ethylphenyl)-2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C21 H20 N6 O S |
| Smiles: | CCc1cccc(c1)NC(CSc1nnc(c2ccncc2)n1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5024 |
| logD: | 3.5017 |
| logSw: | -3.5943 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.724 |
| InChI Key: | UAPUPQDVYFBYMX-UHFFFAOYSA-N |