6-({[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N~2~-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
6-({[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N~2~-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
6-({[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N~2~-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | 8016-3088 |
| Compound Name: | 6-({[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N~2~-(4-methylphenyl)-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 456.53 |
| Molecular Formula: | C23 H20 N8 O S |
| Smiles: | Cc1ccc(cc1)Nc1nc(CSc2nnc(c3ccco3)n2c2ccccc2)nc(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.649 |
| logD: | 4.6485 |
| logSw: | -4.5176 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.661 |
| InChI Key: | UJNWSWAKNQXSLD-UHFFFAOYSA-N |