3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
Chemical Structure Depiction of
3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | 3643-0635 |
| Compound Name: | 3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide |
| Molecular Weight: | 476.59 |
| Molecular Formula: | C20 H20 N4 O4 S3 |
| Smiles: | CCCCc1nnc(NC(CCN2C(/C(=C/c3ccc4c(c3)OCO4)SC2=S)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3189 |
| logD: | 4.1493 |
| logSw: | -4.1453 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.726 |
| InChI Key: | IPYLCLWQOPBOGD-UHFFFAOYSA-N |