4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid
Chemical Structure Depiction of
4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid
4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid
Compound characteristics
| Compound ID: | SC00-0004 |
| Compound Name: | 4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid |
| Molecular Weight: | 260.2 |
| Molecular Formula: | C12 H8 N2 O5 |
| Smiles: | C(=C1C(NC(NC1=O)=O)=O)c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7312 |
| logD: | -2.8757 |
| logSw: | -1.6789 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.051 |
| InChI Key: | YKIMXQQTUMBLKS-UHFFFAOYSA-N |