4-{[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoic acid
Chemical Structure Depiction of
4-{[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoic acid
4-{[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoic acid
Compound characteristics
| Compound ID: | 8001-6939 |
| Compound Name: | 4-{[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoic acid |
| Molecular Weight: | 275.22 |
| Molecular Formula: | C12 H9 N3 O5 |
| Smiles: | C(=C1C(NC(NC1=O)=O)=O)Nc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4156 |
| logD: | -1.9796 |
| logSw: | -1.6066 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 102.652 |
| InChI Key: | WKMSWSXXPPWILC-UHFFFAOYSA-N |