3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-0587 |
| Compound Name: | 3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C24 H23 N3 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(CSc2nnc(c3ccccc3OC)n2c2ccccc2)cc1C |
| Stereo: | ACHIRAL |
| logP: | 5.8451 |
| logD: | 5.8451 |
| logSw: | -5.6382 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.343 |
| InChI Key: | QLVANPJVJJPKMS-UHFFFAOYSA-N |