3-{[(2-chlorophenyl)methyl]sulfanyl}-4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chlorophenyl)methyl]sulfanyl}-4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazole
3-{[(2-chlorophenyl)methyl]sulfanyl}-4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-7544 |
| Compound Name: | 3-{[(2-chlorophenyl)methyl]sulfanyl}-4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazole |
| Molecular Weight: | 345.85 |
| Molecular Formula: | C17 H16 Cl N3 O S |
| Smiles: | Cn1c(COc2ccccc2)nnc1SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8654 |
| logD: | 3.8654 |
| logSw: | -4.1007 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.526 |
| InChI Key: | MJQUGDDOIPISAW-UHFFFAOYSA-N |