2-[4-(nitroimino)-1,3,5-triazinan-1-yl]ethyl 4-nitrobenzoate
Chemical Structure Depiction of
2-[4-(nitroimino)-1,3,5-triazinan-1-yl]ethyl 4-nitrobenzoate
2-[4-(nitroimino)-1,3,5-triazinan-1-yl]ethyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 5044-0006 |
| Compound Name: | 2-[4-(nitroimino)-1,3,5-triazinan-1-yl]ethyl 4-nitrobenzoate |
| Molecular Weight: | 338.28 |
| Molecular Formula: | C12 H14 N6 O6 |
| Smiles: | C(COC(c1ccc(cc1)[N+]([O-])=O)=O)N1CNC(NC1)=N[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.8402 |
| logD: | 0.7779 |
| logSw: | -2.0764 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 124.84 |
| InChI Key: | BMCXUCDYVKVCPY-UHFFFAOYSA-N |