4-({2,6-dibromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({2,6-dibromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
4-({2,6-dibromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 2817-0686 |
| Compound Name: | 4-({2,6-dibromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid |
| Molecular Weight: | 540.18 |
| Molecular Formula: | C19 H12 Br2 N2 O5 S |
| Smiles: | C(c1ccc(cc1)C(O)=O)Oc1c(cc(C=C2C(NC(NC2=O)=S)=O)cc1[Br])[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.6108 |
| logD: | 1.6393 |
| logSw: | -4.6311 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.435 |
| InChI Key: | SVNXHNQLUMPOIG-UHFFFAOYSA-N |