3-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazole
3-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V012-0308 |
| Compound Name: | 3-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 440.34 |
| Molecular Formula: | C21 H15 Br F N3 S |
| Salt: | not_available |
| Smiles: | C(c1ccc(cc1)[Br])Sc1nnc(c2ccc(cc2)F)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8535 |
| logD: | 5.8535 |
| logSw: | -6.2736 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.7125 |
| InChI Key: | NBVCGYYELMXNHU-UHFFFAOYSA-N |