3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-5633 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 499.22 |
| Molecular Formula: | C21 H12 Cl4 F N3 S |
| Salt: | not_available |
| Smiles: | C(c1c(cccc1[Cl])F)Sc1nnc(c2ccccc2[Cl])n1c1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.6786 |
| logD: | 7.6786 |
| logSw: | -7.094 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.7125 |
| InChI Key: | JMXZJWKHIPMFDD-UHFFFAOYSA-N |