3-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole
3-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V014-2017 |
| Compound Name: | 3-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 379.5 |
| Molecular Formula: | C20 H17 N3 O S2 |
| Salt: | not_available |
| Smiles: | COc1ccc(CSc2nnc(c3cccs3)n2c2ccccc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6933 |
| logD: | 4.6932 |
| logSw: | -4.4594 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.275 |
| InChI Key: | FVQJPPXKCSEONX-UHFFFAOYSA-N |