4-[(2,6-dichloro-4-{[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Chemical Structure Depiction of
4-[(2,6-dichloro-4-{[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
4-[(2,6-dichloro-4-{[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Compound characteristics
| Compound ID: | 2897-0366 |
| Compound Name: | 4-[(2,6-dichloro-4-{[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid |
| Molecular Weight: | 545.37 |
| Molecular Formula: | C25 H15 Cl2 F N2 O5 S |
| Smiles: | C(c1ccc(cc1)C(O)=O)Oc1c(cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)F)=S)=O)cc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.8086 |
| logD: | 2.8371 |
| logSw: | -5.7386 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.037 |
| InChI Key: | JGQFVHSJSXSYIB-UHFFFAOYSA-N |