methyl 4-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzoate
Chemical Structure Depiction of
methyl 4-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzoate
methyl 4-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzoate
Compound characteristics
| Compound ID: | 8004-7556 |
| Compound Name: | methyl 4-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzoate |
| Molecular Weight: | 290.23 |
| Molecular Formula: | C12 H10 N4 O5 |
| Smiles: | COC(c1ccc(cc1)NN=C1C(NC(NC1=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.877 |
| logD: | 0.6079 |
| logSw: | -1.9151 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.792 |
| InChI Key: | ZSKREZJJCSQRKM-UHFFFAOYSA-N |