{4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,6-diiodophenoxy}acetic acid
Chemical Structure Depiction of
{4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,6-diiodophenoxy}acetic acid
{4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,6-diiodophenoxy}acetic acid
Compound characteristics
| Compound ID: | 2897-1031 |
| Compound Name: | {4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,6-diiodophenoxy}acetic acid |
| Molecular Weight: | 634.19 |
| Molecular Formula: | C19 H12 I2 N2 O5 S |
| Smiles: | C(C(O)=O)Oc1c(cc(\C=C2/C(NC(N(C2=O)c2ccccc2)=S)=O)cc1I)I |
| Stereo: | ACHIRAL |
| logP: | 3.8081 |
| logD: | -0.4289 |
| logSw: | -4.099 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.285 |
| InChI Key: | PXLPTZUWVDQUCM-UHFFFAOYSA-N |