4-[(2,6-dichloro-4-{[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Chemical Structure Depiction of
4-[(2,6-dichloro-4-{[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
4-[(2,6-dichloro-4-{[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Compound characteristics
| Compound ID: | 2897-0356 |
| Compound Name: | 4-[(2,6-dichloro-4-{[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid |
| Molecular Weight: | 529.31 |
| Molecular Formula: | C25 H15 Cl2 F N2 O6 |
| Smiles: | C(c1ccc(cc1)C(O)=O)Oc1c(cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)F)=O)=O)cc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3809 |
| logD: | 2.4094 |
| logSw: | -5.6895 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.2 |
| InChI Key: | PIMZIBYAIQIVKR-UHFFFAOYSA-N |