4-chloro-3-(5-{[1-(2-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
4-chloro-3-(5-{[1-(2-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
4-chloro-3-(5-{[1-(2-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 3970-1719 |
| Compound Name: | 4-chloro-3-(5-{[1-(2-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 454.8 |
| Molecular Formula: | C22 H12 Cl F N2 O6 |
| Smiles: | C(=C1/C(NC(N(C1=O)c1ccccc1F)=O)=O)\c1ccc(c2cc(ccc2[Cl])C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.0999 |
| logD: | 0.7284 |
| logSw: | -4.4004 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.068 |
| InChI Key: | QIZMCSBSMVZTDR-UHFFFAOYSA-N |