N-[2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2-methoxybenzamide
Chemical Structure Depiction of
N-[2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2-methoxybenzamide
N-[2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2-methoxybenzamide
Compound characteristics
| Compound ID: | F938-0057 |
| Compound Name: | N-[2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2-methoxybenzamide |
| Molecular Weight: | 468.94 |
| Molecular Formula: | C23 H18 Cl F N4 O2 S |
| Smiles: | COc1ccccc1C(Nc1ccccc1Sc1nc(nn1Cc1ccc(cc1)F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.909 |
| logD: | 4.909 |
| logSw: | -4.919 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.093 |
| InChI Key: | VSXIPZYPSDOSFX-UHFFFAOYSA-N |