N-(2H-1,3-benzodioxol-5-yl)-2-{[5-phenyl-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-phenyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-phenyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7784 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[5-phenyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C21 H17 N5 O3 S |
| Smiles: | C1Oc2ccc(cc2O1)NC(CSc1nnc(c2ccccc2)n1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.689 |
| logD: | 3.689 |
| logSw: | -4.0471 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.411 |
| InChI Key: | HJRWOHDVTLJUSO-UHFFFAOYSA-N |