N-(3-fluorophenyl)-2-{[5-(2-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-fluorophenyl)-2-{[5-(2-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-fluorophenyl)-2-{[5-(2-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7899 |
| Compound Name: | N-(3-fluorophenyl)-2-{[5-(2-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C21 H18 F N5 O2 S |
| Smiles: | COc1ccccc1c1nnc(n1n1cccc1)SCC(Nc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7135 |
| logD: | 3.7134 |
| logSw: | -4.0196 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.926 |
| InChI Key: | MSRRCOUTYXMKCR-UHFFFAOYSA-N |