N-(3-chloro-4-fluorophenyl)-2-{[5-propyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-{[5-propyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-chloro-4-fluorophenyl)-2-{[5-propyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7774 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{[5-propyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 393.87 |
| Molecular Formula: | C17 H17 Cl F N5 O S |
| Smiles: | CCCc1nnc(n1n1cccc1)SCC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8323 |
| logD: | 3.8241 |
| logSw: | -4.1929 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.544 |
| InChI Key: | MMZLQBVTKCEXNA-UHFFFAOYSA-N |