3-(3-chlorophenyl)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-(3-chlorophenyl)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
3-(3-chlorophenyl)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 1588-0152 |
| Compound Name: | 3-(3-chlorophenyl)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 420.85 |
| Molecular Formula: | C17 H9 Cl N2 O5 S2 |
| Smiles: | C1Oc2cc(\C=C3/C(N(C(=S)S3)c3cccc(c3)[Cl])=O)c(cc2O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3349 |
| logD: | 4.3349 |
| logSw: | -4.5647 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 66.027 |
| InChI Key: | BIQJDPPUWHETRL-UHFFFAOYSA-N |