N-(3-chloro-4-fluorophenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-chloro-4-fluorophenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7729 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 351.79 |
| Molecular Formula: | C14 H11 Cl F N5 O S |
| Smiles: | C(C(Nc1ccc(c(c1)[Cl])F)=O)Sc1nncn1n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5907 |
| logD: | 2.5826 |
| logSw: | -3.4301 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.902 |
| InChI Key: | DROABTQEGSFUQB-UHFFFAOYSA-N |