2,2',2''-[1,3,5-triazine-2,4,6-triyltris(sulfanediyl)]tris[N-(3-nitrophenyl)acetamide]
Chemical Structure Depiction of
2,2',2''-[1,3,5-triazine-2,4,6-triyltris(sulfanediyl)]tris[N-(3-nitrophenyl)acetamide]
2,2',2''-[1,3,5-triazine-2,4,6-triyltris(sulfanediyl)]tris[N-(3-nitrophenyl)acetamide]
Compound characteristics
| Compound ID: | 8002-7160 |
| Compound Name: | 2,2',2''-[1,3,5-triazine-2,4,6-triyltris(sulfanediyl)]tris[N-(3-nitrophenyl)acetamide] |
| Molecular Weight: | 711.71 |
| Molecular Formula: | C27 H21 N9 O9 S3 |
| Smiles: | C(C(Nc1cccc(c1)[N+]([O-])=O)=O)Sc1nc(nc(n1)SCC(Nc1cccc(c1)[N+]([O-])=O)=O)SCC(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7086 |
| logD: | 5.7079 |
| logSw: | -5.7858 |
| Hydrogen bond acceptors count: | 24 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 195.049 |
| InChI Key: | FMGNMNIJEAHJMR-UHFFFAOYSA-N |