N-(3-fluorophenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-fluorophenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-fluorophenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7646 |
| Compound Name: | N-(3-fluorophenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 317.34 |
| Molecular Formula: | C14 H12 F N5 O S |
| Smiles: | C(C(Nc1cccc(c1)F)=O)Sc1nncn1n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.014 |
| logD: | 2.0138 |
| logSw: | -2.7031 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.902 |
| InChI Key: | LFUMGTPTTKLCDN-UHFFFAOYSA-N |