3-{[(4-chlorophenyl)methyl]sulfanyl}-5-(5-ethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-5-(5-ethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazole
3-{[(4-chlorophenyl)methyl]sulfanyl}-5-(5-ethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y207-3762 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-5-(5-ethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazole |
| Molecular Weight: | 349.9 |
| Molecular Formula: | C16 H16 Cl N3 S2 |
| Smiles: | CCc1cc(cs1)c1nnc(n1C)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5498 |
| logD: | 4.5496 |
| logSw: | -4.6996 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 26.0691 |
| InChI Key: | FQBNGAZRELMMAL-UHFFFAOYSA-N |