[5-({3,5-dibromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Chemical Structure Depiction of
[5-({3,5-dibromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
[5-({3,5-dibromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Compound characteristics
| Compound ID: | 3229-2194 |
| Compound Name: | [5-({3,5-dibromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid |
| Molecular Weight: | 642.22 |
| Molecular Formula: | C19 H9 Br2 F3 N2 O6 S2 |
| Smiles: | C(C(O)=O)N1C(/C(=C\c2cc(c(c(c2)[Br])Oc2ccc(cc2[N+]([O-])=O)C(F)(F)F)[Br])SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4264 |
| logD: | 1.3075 |
| logSw: | -4.5411 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.186 |
| InChI Key: | PXJSDGKYVGIXED-UHFFFAOYSA-N |