{4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxy-6-(prop-2-en-1-yl)phenoxy}acetic acid
Chemical Structure Depiction of
{4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxy-6-(prop-2-en-1-yl)phenoxy}acetic acid
{4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxy-6-(prop-2-en-1-yl)phenoxy}acetic acid
Compound characteristics
| Compound ID: | 4299-0347 |
| Compound Name: | {4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxy-6-(prop-2-en-1-yl)phenoxy}acetic acid |
| Molecular Weight: | 376.39 |
| Molecular Formula: | C17 H16 N2 O6 S |
| Smiles: | COc1cc(C=C2C(NC(NC2=O)=S)=O)cc(CC=C)c1OCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3158 |
| logD: | -1.9212 |
| logSw: | -2.8347 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.313 |
| InChI Key: | KJXBVPVAFADUSR-UHFFFAOYSA-N |