N-phenyl-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-phenyl-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-phenyl-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7642 |
| Compound Name: | N-phenyl-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 299.35 |
| Molecular Formula: | C14 H13 N5 O S |
| Smiles: | C(C(Nc1ccccc1)=O)Sc1nncn1n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.6688 |
| logD: | 1.6688 |
| logSw: | -2.2286 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.902 |
| InChI Key: | WFNLUIIJCKDJAZ-UHFFFAOYSA-N |