{2-bromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid
Chemical Structure Depiction of
{2-bromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid
{2-bromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid
Compound characteristics
| Compound ID: | 2817-0147 |
| Compound Name: | {2-bromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid |
| Molecular Weight: | 385.19 |
| Molecular Formula: | C13 H9 Br N2 O5 S |
| Smiles: | C(C(O)=O)Oc1ccc(C=C2C(NC(NC2=O)=S)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.7707 |
| logD: | -2.4663 |
| logSw: | -2.465 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.595 |
| InChI Key: | SOOXLOAJWAGFDZ-UHFFFAOYSA-N |