3-ethyl-5-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)-2-[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-ethyl-5-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)-2-[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one
3-ethyl-5-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)-2-[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 0425-0011 |
| Compound Name: | 3-ethyl-5-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)-2-[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one |
| Molecular Weight: | 491.67 |
| Molecular Formula: | C21 H21 N3 O3 S4 |
| Smiles: | CCN1/C(=C2\C(N(CC=C)C(=S)S2)=O)SC(=C2/N(CC)c3cc(ccc3S2)OC)/C1=O |
| Stereo: | ACHIRAL |
| logP: | 5.0705 |
| logD: | 5.0705 |
| logSw: | -4.7098 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 46.286 |
| InChI Key: | APGZZQJLVGMVLS-UHFFFAOYSA-N |