3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V003-8116 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 455.94 |
| Molecular Formula: | C23 H19 Cl F N3 O2 S |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1)OC)c1nnc(n1c1ccccc1)SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.9842 |
| logD: | 5.9842 |
| logSw: | -6.1779 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.8 |
| InChI Key: | NMCDCMORBFUVRK-UHFFFAOYSA-N |