4-{2,4,6-trioxo-5-[(thiophen-2-yl)methylidene]-1,3-diazinan-1-yl}benzoic acid
Chemical Structure Depiction of
4-{2,4,6-trioxo-5-[(thiophen-2-yl)methylidene]-1,3-diazinan-1-yl}benzoic acid
4-{2,4,6-trioxo-5-[(thiophen-2-yl)methylidene]-1,3-diazinan-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 3448-1275 |
| Compound Name: | 4-{2,4,6-trioxo-5-[(thiophen-2-yl)methylidene]-1,3-diazinan-1-yl}benzoic acid |
| Molecular Weight: | 342.33 |
| Molecular Formula: | C16 H10 N2 O5 S |
| Smiles: | C(=C1/C(NC(N(C1=O)c1ccc(cc1)C(O)=O)=O)=O)/c1cccs1 |
| Stereo: | ACHIRAL |
| logP: | 1.7828 |
| logD: | -0.6124 |
| logSw: | -2.4175 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.817 |
| InChI Key: | DWEZABWXYPJTIW-UHFFFAOYSA-N |