N-(3-fluorophenyl)-2-{[5-(3-methylphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-fluorophenyl)-2-{[5-(3-methylphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-fluorophenyl)-2-{[5-(3-methylphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-9723 |
| Compound Name: | N-(3-fluorophenyl)-2-{[5-(3-methylphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C21 H18 F N5 O S |
| Smiles: | Cc1cccc(c1)c1nnc(n1n1cccc1)SCC(Nc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4836 |
| logD: | 4.4835 |
| logSw: | -4.3375 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.296 |
| InChI Key: | ICNCVYMQKKGTHW-UHFFFAOYSA-N |