3-{[(4-methoxyphenyl)methyl]sulfanyl}-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-methoxyphenyl)methyl]sulfanyl}-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole
3-{[(4-methoxyphenyl)methyl]sulfanyl}-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8008-8056 |
| Compound Name: | 3-{[(4-methoxyphenyl)methyl]sulfanyl}-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C23 H21 N3 O2 S |
| Smiles: | COc1ccc(CSc2nnc(COc3ccccc3)n2c2ccccc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3626 |
| logD: | 4.3626 |
| logSw: | -4.3648 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.732 |
| InChI Key: | VRWDSGJCDSYVHH-UHFFFAOYSA-N |