3-benzyl-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-benzyl-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
3-benzyl-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V006-1988 |
| Compound Name: | 3-benzyl-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C23 H21 N3 O S |
| Salt: | not_available |
| Smiles: | COc1ccc(CSc2nnc(Cc3ccccc3)n2c2ccccc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6057 |
| logD: | 4.6057 |
| logSw: | -4.5367 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.232 |
| InChI Key: | QIEAYEJKXRQTJF-UHFFFAOYSA-N |