3-benzyl-5-({3,5-dibromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-benzyl-5-({3,5-dibromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
3-benzyl-5-({3,5-dibromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 3229-1811 |
| Compound Name: | 3-benzyl-5-({3,5-dibromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 674.31 |
| Molecular Formula: | C24 H13 Br2 F3 N2 O4 S2 |
| Smiles: | C(c1ccccc1)N1C(/C(=C\c2cc(c(c(c2)[Br])Oc2ccc(cc2[N+]([O-])=O)C(F)(F)F)[Br])SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 7.5894 |
| logD: | 7.5894 |
| logSw: | -6.2829 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 56.531 |
| InChI Key: | UIKVQMPIKKUZSC-UHFFFAOYSA-N |