(4-{[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,6-diiodophenoxy)acetic acid
Chemical Structure Depiction of
(4-{[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,6-diiodophenoxy)acetic acid
(4-{[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,6-diiodophenoxy)acetic acid
Compound characteristics
Compound ID: | 2897-1026 |
Compound Name: | (4-{[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,6-diiodophenoxy)acetic acid |
Molecular Weight: | 636.11 |
Molecular Formula: | C19 H11 F I2 N2 O6 |
Smiles: | C(C(O)=O)Oc1c(cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)F)=O)=O)cc1I)I |
Stereo: | ACHIRAL |
logP: | 3.531 |
logD: | -0.7059 |
logSw: | -3.7337 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 89.447 |
InChI Key: | HKNXJEVRKSSTFC-UHFFFAOYSA-N |