6-{[(4-benzyl-5-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-{[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N~2~-phenyl-1,3,5-triazine-2,4-diamine
6-{[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N~2~-phenyl-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | 3448-0598 |
| Compound Name: | 6-{[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N~2~-phenyl-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 466.57 |
| Molecular Formula: | C25 H22 N8 S |
| Smiles: | C(c1ccccc1)n1c(c2ccccc2)nnc1SCc1nc(N)nc(Nc2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.3068 |
| logD: | 5.2964 |
| logSw: | -5.7469 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.339 |
| InChI Key: | RKLMLGIHKNLIKR-UHFFFAOYSA-N |