3-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V003-1276 |
| Compound Name: | 3-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 404.3 |
| Molecular Formula: | C18 H15 Br F N3 S |
| Salt: | not_available |
| Smiles: | C=CCn1c(c2ccc(cc2)F)nnc1SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.2287 |
| logD: | 5.2287 |
| logSw: | -5.5948 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.2191 |
| InChI Key: | VIKXCSQQPXRQEB-UHFFFAOYSA-N |