4-(5-{[4-(dimethylamino)phenyl]methylidene}-2,4,6-trioxo-1,3-diazinan-1-yl)benzoic acid
Chemical Structure Depiction of
4-(5-{[4-(dimethylamino)phenyl]methylidene}-2,4,6-trioxo-1,3-diazinan-1-yl)benzoic acid
4-(5-{[4-(dimethylamino)phenyl]methylidene}-2,4,6-trioxo-1,3-diazinan-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 8012-5733 |
| Compound Name: | 4-(5-{[4-(dimethylamino)phenyl]methylidene}-2,4,6-trioxo-1,3-diazinan-1-yl)benzoic acid |
| Molecular Weight: | 379.37 |
| Molecular Formula: | C20 H17 N3 O5 |
| Smiles: | CN(C)c1ccc(/C=C2/C(NC(N(C2=O)c2ccc(cc2)C(O)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3276 |
| logD: | -0.0676 |
| logSw: | -2.9478 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.604 |
| InChI Key: | COLMXPPNIQTSDI-UHFFFAOYSA-N |