N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-fluorobenzamide
Chemical Structure Depiction of
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-fluorobenzamide
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-fluorobenzamide
Compound characteristics
| Compound ID: | L150-0183 |
| Compound Name: | N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-fluorobenzamide |
| Molecular Weight: | 407.26 |
| Molecular Formula: | C16 H12 Br F N4 O S |
| Smiles: | Cn1c(nc(n1)[Br])Sc1ccccc1NC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6264 |
| logD: | 3.6263 |
| logSw: | -4.0409 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.986 |
| InChI Key: | RODUAGQNSXJSNP-UHFFFAOYSA-N |