3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-[(4-chloro-3-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-[(4-chloro-3-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-[(4-chloro-3-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y207-2307 |
| Compound Name: | 3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-[(4-chloro-3-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 438.35 |
| Molecular Formula: | C20 H18 Cl2 F N3 O S |
| Smiles: | Cc1cc(ccc1[Cl])OCc1nnc(n1CC=C)SCc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 6.2405 |
| logD: | 6.2405 |
| logSw: | -6.2928 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.694 |
| InChI Key: | NSRDELAILZUCKR-UHFFFAOYSA-N |