4-({2,6-dibromo-4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({2,6-dibromo-4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
4-({2,6-dibromo-4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 2817-0698 |
| Compound Name: | 4-({2,6-dibromo-4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid |
| Molecular Weight: | 616.28 |
| Molecular Formula: | C25 H16 Br2 N2 O5 S |
| Smiles: | C(c1ccc(cc1)C(O)=O)Oc1c(cc(\C=C2/C(NC(N(C2=O)c2ccccc2)=S)=O)cc1[Br])[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.3277 |
| logD: | 2.3562 |
| logSw: | -5.5496 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.037 |
| InChI Key: | WGYQALRTJMTXAR-UHFFFAOYSA-N |