4-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]benzoic acid
Chemical Structure Depiction of
4-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]benzoic acid
4-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]benzoic acid
Compound characteristics
| Compound ID: | 2896-0118 |
| Compound Name: | 4-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]benzoic acid |
| Molecular Weight: | 336.3 |
| Molecular Formula: | C18 H12 N2 O5 |
| Smiles: | C(=C1/C(NC(N(C1=O)c1ccccc1)=O)=O)\c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.116 |
| logD: | -1.4908 |
| logSw: | -2.8423 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.799 |
| InChI Key: | LXHVLHODSDJMDA-UHFFFAOYSA-N |