3-cyclohexyl-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(phenylimino)-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-cyclohexyl-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(phenylimino)-1,3-thiazolidin-4-one
3-cyclohexyl-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(phenylimino)-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 3270-0815 |
| Compound Name: | 3-cyclohexyl-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(phenylimino)-1,3-thiazolidin-4-one |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C23 H21 N3 O5 S |
| Smiles: | C1CCC(CC1)N1\C(=N/c2ccccc2)SC(=C/c2cc3c(cc2[N+]([O-])=O)OCO3)\C1=O |
| Stereo: | ACHIRAL |
| logP: | 5.2454 |
| logD: | 5.2454 |
| logSw: | -5.3421 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.282 |
| InChI Key: | LIWGUIKUWGHLJT-UHFFFAOYSA-N |