N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(3-fluorophenyl)acetamide
Chemical Structure Depiction of
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(3-fluorophenyl)acetamide
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(3-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | L150-0210 |
| Compound Name: | N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(3-fluorophenyl)acetamide |
| Molecular Weight: | 421.29 |
| Molecular Formula: | C17 H14 Br F N4 O S |
| Smiles: | Cn1c(nc(n1)[Br])Sc1ccccc1NC(Cc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4556 |
| logD: | 3.4556 |
| logSw: | -3.8545 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.773 |
| InChI Key: | TWHBWLBBPSARKX-UHFFFAOYSA-N |