3-{[(4-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-phenyl-4H-1,2,4-triazole
3-{[(4-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8008-4319 |
| Compound Name: | 3-{[(4-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 311.4 |
| Molecular Formula: | C17 H17 N3 O S |
| Smiles: | Cn1c(c2ccccc2)nnc1SCc1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4167 |
| logD: | 3.4167 |
| logSw: | -3.6218 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.595 |
| InChI Key: | NPABVKBKBFUMHA-UHFFFAOYSA-N |