6-ethoxy-N~2~-(4-nitrophenyl)-N~4~-(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
6-ethoxy-N~2~-(4-nitrophenyl)-N~4~-(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine
6-ethoxy-N~2~-(4-nitrophenyl)-N~4~-(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | K890-0068 |
| Compound Name: | 6-ethoxy-N~2~-(4-nitrophenyl)-N~4~-(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 316.32 |
| Molecular Formula: | C14 H16 N6 O3 |
| Smiles: | CCOc1nc(NCC=C)nc(Nc2ccc(cc2)[N+]([O-])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9859 |
| logD: | 3.9859 |
| logSw: | -4.0783 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.939 |
| InChI Key: | VOYXYUJYDYOQBG-UHFFFAOYSA-N |