3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V006-9986 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 485.96 |
| Molecular Formula: | C24 H21 Cl F N3 O3 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)n1c(c2cc(cc(c2)OC)OC)nnc1SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 6.0881 |
| logD: | 6.0881 |
| logSw: | -6.3286 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.344 |
| InChI Key: | RRPAMZCRVWWIGY-UHFFFAOYSA-N |