4-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid
Chemical Structure Depiction of
4-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid
4-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid
Compound characteristics
| Compound ID: | 2896-4012 |
| Compound Name: | 4-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid |
| Molecular Weight: | 274.23 |
| Molecular Formula: | C13 H10 N2 O5 |
| Smiles: | CN1C(C(=C/c2ccc(cc2)C(O)=O)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1953 |
| logD: | -2.4115 |
| logSw: | -1.9319 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.448 |
| InChI Key: | FOCATHRHRUAECA-UHFFFAOYSA-N |