{4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}acetic acid
Chemical Structure Depiction of
{4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}acetic acid
{4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}acetic acid
Compound characteristics
| Compound ID: | 2897-1535 |
| Compound Name: | {4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}acetic acid |
| Molecular Weight: | 412.42 |
| Molecular Formula: | C20 H16 N2 O6 S |
| Smiles: | COc1cc(\C=C2/C(NC(N(C2=O)c2ccccc2)=S)=O)ccc1OCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7104 |
| logD: | -2.5266 |
| logSw: | -2.4746 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.828 |
| InChI Key: | ZEKUJFGZJINHMU-UHFFFAOYSA-N |