6-[({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N~2~-phenyl-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
6-[({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N~2~-phenyl-1,3,5-triazine-2,4-diamine
6-[({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N~2~-phenyl-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | 8012-4202 |
| Compound Name: | 6-[({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N~2~-phenyl-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 538.67 |
| Molecular Formula: | C29 H30 N8 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)OCc1nnc(n1c1ccccc1)SCc1nc(N)nc(Nc2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.297 |
| logD: | 6.2966 |
| logSw: | -5.7587 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.558 |
| InChI Key: | APWXUUUOFBYSOS-UHFFFAOYSA-N |