{4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,6-diiodophenoxy}acetic acid
Chemical Structure Depiction of
{4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,6-diiodophenoxy}acetic acid
{4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,6-diiodophenoxy}acetic acid
Compound characteristics
Compound ID: | 2897-1019 |
Compound Name: | {4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,6-diiodophenoxy}acetic acid |
Molecular Weight: | 558.09 |
Molecular Formula: | C13 H8 I2 N2 O5 S |
Smiles: | C(C(O)=O)Oc1c(cc(C=C2C(NC(NC2=O)=S)=O)cc1I)I |
Stereo: | ACHIRAL |
logP: | 3.0912 |
logD: | -1.1458 |
logSw: | -3.3177 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 85.682 |
InChI Key: | BBVCFMCRZPNBRG-UHFFFAOYSA-N |