N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-9707 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 420.45 |
| Molecular Formula: | C20 H16 N6 O3 S |
| Smiles: | C1Oc2ccc(cc2O1)NC(CSc1nnc(c2ccncc2)n1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.545 |
| logD: | 2.5444 |
| logSw: | -2.7199 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.84 |
| InChI Key: | XZEJBPQESMGHFQ-UHFFFAOYSA-N |