4-chloro-3-{5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
4-chloro-3-{5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid
4-chloro-3-{5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 3561-0614 |
| Compound Name: | 4-chloro-3-{5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 360.71 |
| Molecular Formula: | C16 H9 Cl N2 O6 |
| Smiles: | C(=C1C(NC(NC1=O)=O)=O)c1ccc(c2cc(ccc2[Cl])C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.5429 |
| logD: | -0.8286 |
| logSw: | -3.4319 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.621 |
| InChI Key: | AGCGOBFROXOLJI-UHFFFAOYSA-N |