{4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}acetic acid
Chemical Structure Depiction of
{4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}acetic acid
{4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}acetic acid
Compound characteristics
| Compound ID: | 2897-1528 |
| Compound Name: | {4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}acetic acid |
| Molecular Weight: | 336.32 |
| Molecular Formula: | C14 H12 N2 O6 S |
| Smiles: | COc1cc(C=C2C(NC(NC2=O)=S)=O)ccc1OCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9935 |
| logD: | -3.2435 |
| logSw: | -2.1499 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.226 |
| InChI Key: | UFJVAPIRHXWKRM-UHFFFAOYSA-N |