N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]-2-methoxybenzamide
Chemical Structure Depiction of
N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]-2-methoxybenzamide
N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]-2-methoxybenzamide
Compound characteristics
| Compound ID: | C301-9195 |
| Compound Name: | N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]-2-methoxybenzamide |
| Molecular Weight: | 513.39 |
| Molecular Formula: | C23 H18 Br F N4 O2 S |
| Smiles: | COc1ccccc1C(Nc1ccccc1Sc1nnc(n1Cc1ccc(cc1)F)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9308 |
| logD: | 4.9307 |
| logSw: | -4.6379 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.864 |
| InChI Key: | YVZYZLMLFRPXQK-UHFFFAOYSA-N |