4-({2,6-dichloro-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({2,6-dichloro-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
4-({2,6-dichloro-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 2897-0348 |
| Compound Name: | 4-({2,6-dichloro-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid |
| Molecular Weight: | 435.22 |
| Molecular Formula: | C19 H12 Cl2 N2 O6 |
| Smiles: | C(c1ccc(cc1)C(O)=O)Oc1c(cc(C=C2C(NC(NC2=O)=O)=O)cc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8454 |
| logD: | 0.8739 |
| logSw: | -4.235 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.452 |
| InChI Key: | NQOFIAXXUFWNHZ-UHFFFAOYSA-N |