ethyl 2-(4-chloroanilino)-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-chloroanilino)-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-chloroanilino)-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V017-0252 |
| Compound Name: | ethyl 2-(4-chloroanilino)-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 443.9 |
| Molecular Formula: | C22 H18 Cl N O5 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)[Cl])SC(=C\c2ccc3c(c2)OCCO3)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6134 |
| logD: | 4.1836 |
| logSw: | -4.8701 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.94 |
| InChI Key: | HKARGIIKVMRQLQ-UHFFFAOYSA-N |