2,2',2''-[1,3,5-triazine-2,4,6-triyltris(sulfanediyl)]tris[N-(5-chloro-2-methylphenyl)acetamide]
Chemical Structure Depiction of
2,2',2''-[1,3,5-triazine-2,4,6-triyltris(sulfanediyl)]tris[N-(5-chloro-2-methylphenyl)acetamide]
2,2',2''-[1,3,5-triazine-2,4,6-triyltris(sulfanediyl)]tris[N-(5-chloro-2-methylphenyl)acetamide]
Compound characteristics
| Compound ID: | 8001-5766 |
| Compound Name: | 2,2',2''-[1,3,5-triazine-2,4,6-triyltris(sulfanediyl)]tris[N-(5-chloro-2-methylphenyl)acetamide] |
| Molecular Weight: | 722.13 |
| Molecular Formula: | C30 H27 Cl3 N6 O3 S3 |
| Smiles: | Cc1ccc(cc1NC(CSc1nc(nc(n1)SCC(Nc1cc(ccc1C)[Cl])=O)SCC(Nc1cc(ccc1C)[Cl])=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.8767 |
| logD: | 6.8765 |
| logSw: | -6.3116 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.811 |
| InChI Key: | JJAVTLMUUJFVLW-UHFFFAOYSA-N |