{2,6-dibromo-4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid
Chemical Structure Depiction of
{2,6-dibromo-4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid
{2,6-dibromo-4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid
Compound characteristics
| Compound ID: | 2817-0763 |
| Compound Name: | {2,6-dibromo-4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid |
| Molecular Weight: | 540.18 |
| Molecular Formula: | C19 H12 Br2 N2 O5 S |
| Smiles: | C(C(O)=O)Oc1c(cc(\C=C2/C(NC(N(C2=O)c2ccccc2)=S)=O)cc1[Br])[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.3548 |
| logD: | -0.8821 |
| logSw: | -3.6547 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.285 |
| InChI Key: | JIAZBVVUDPVDCP-UHFFFAOYSA-N |