6-({[5-(4-tert-butylphenyl)-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-butylphenyl)-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-butylphenyl)-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: | 8008-7526 |
| Compound Name: | 6-({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N~2~-phenyl-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 508.65 |
| Molecular Formula: | C28 H28 N8 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1c1ccccc1)SCc1nc(N)nc(Nc2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.8788 |
| logD: | 6.8784 |
| logSw: | -6.0249 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.082 |
| InChI Key: | NMRVPHQNMMFQJU-UHFFFAOYSA-N |