3-{[(4-bromophenyl)methyl]sulfanyl}-4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-bromophenyl)methyl]sulfanyl}-4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazole
3-{[(4-bromophenyl)methyl]sulfanyl}-4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V010-9498 |
| Compound Name: | 3-{[(4-bromophenyl)methyl]sulfanyl}-4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 460.78 |
| Molecular Formula: | C20 H15 Br Cl N3 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1n1c(c2ccco2)nnc1SCc1ccc(cc1)[Br])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.9531 |
| logD: | 5.9529 |
| logSw: | -6.1572 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.99 |
| InChI Key: | NWZDGGKOGNTJBC-UHFFFAOYSA-N |