N-[5-(2,4-dinitrophenyl)-1,3,5-triazinan-2-ylidene]-4-methyl-3-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-[5-(2,4-dinitrophenyl)-1,3,5-triazinan-2-ylidene]-4-methyl-3-nitrobenzene-1-sulfonamide
N-[5-(2,4-dinitrophenyl)-1,3,5-triazinan-2-ylidene]-4-methyl-3-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8004-7424 |
| Compound Name: | N-[5-(2,4-dinitrophenyl)-1,3,5-triazinan-2-ylidene]-4-methyl-3-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 465.4 |
| Molecular Formula: | C16 H15 N7 O8 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)S(N=C1NCN(CN1)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5876 |
| logD: | 2.5876 |
| logSw: | -3.0704 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 162.689 |
| InChI Key: | BSEMEBDKEBKNNN-UHFFFAOYSA-N |