N-[2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-4-fluorobenzamide
Chemical Structure Depiction of
N-[2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-4-fluorobenzamide
N-[2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-4-fluorobenzamide
Compound characteristics
| Compound ID: | F938-0076 |
| Compound Name: | N-[2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-4-fluorobenzamide |
| Molecular Weight: | 456.9 |
| Molecular Formula: | C22 H15 Cl F2 N4 O S |
| Smiles: | C(c1ccc(cc1)F)n1c(nc(n1)[Cl])Sc1ccccc1NC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1131 |
| logD: | 5.113 |
| logSw: | -5.6044 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.462 |
| InChI Key: | KYQOCEYJSIZGLP-UHFFFAOYSA-N |