3-cyclohexyl-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-cyclohexyl-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
3-cyclohexyl-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 4482-4129 |
| Compound Name: | 3-cyclohexyl-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 392.45 |
| Molecular Formula: | C17 H16 N2 O5 S2 |
| Smiles: | C1CCC(CC1)N1C(/C(=C\c2cc3c(cc2[N+]([O-])=O)OCO3)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2094 |
| logD: | 4.2094 |
| logSw: | -4.2991 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 65.86 |
| InChI Key: | RFVHEGZIAIFSQC-UHFFFAOYSA-N |