5-{[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-ethyl-2-sulfanylideneimidazolidin-4-one
Chemical Structure Depiction of
5-{[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-ethyl-2-sulfanylideneimidazolidin-4-one
5-{[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-ethyl-2-sulfanylideneimidazolidin-4-one
Compound characteristics
| Compound ID: | 5784-0179 |
| Compound Name: | 5-{[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-ethyl-2-sulfanylideneimidazolidin-4-one |
| Molecular Weight: | 369.44 |
| Molecular Formula: | C19 H19 N3 O3 S |
| Smiles: | CCN1C(/C(=C/c2cc(C)n(c3ccc4c(c3)OCO4)c2C)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2355 |
| logD: | 3.2344 |
| logSw: | -3.3395 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.285 |
| InChI Key: | WFUWBWRPBUNKJN-UHFFFAOYSA-N |