3-(4-bromo-3-methylphenyl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-(4-bromo-3-methylphenyl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one
3-(4-bromo-3-methylphenyl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | K205-1755 |
| Compound Name: | 3-(4-bromo-3-methylphenyl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one |
| Molecular Weight: | 437.27 |
| Molecular Formula: | C17 H13 Br N2 O5 S |
| Smiles: | Cc1cc(ccc1[Br])N1C(c2cc3c(cc2[N+]([O-])=O)OCO3)SCC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2541 |
| logD: | 4.2541 |
| logSw: | -4.4756 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.329 |
| InChI Key: | LGOCTYGTRZWSLA-KRWDZBQOSA-N |