N-[2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-[2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-3,4-dimethoxybenzamide
N-[2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | F938-0073 |
| Compound Name: | N-[2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-3,4-dimethoxybenzamide |
| Molecular Weight: | 498.96 |
| Molecular Formula: | C24 H20 Cl F N4 O3 S |
| Smiles: | COc1ccc(cc1OC)C(Nc1ccccc1Sc1nc(nn1Cc1ccc(cc1)F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7082 |
| logD: | 4.7082 |
| logSw: | -4.8991 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.723 |
| InChI Key: | ZVJPLCOQBBERNF-UHFFFAOYSA-N |