1-(2-hydroxyethyl)-2-{3-[1-(2-hydroxyethyl)[1]benzofuro[3,2-d][1,3]thiazol-2(1H)-ylidene]-2-methylprop-1-en-1-yl}[1]benzofuro[3,2-d][1,3]thiazol-1-ium--chloride (1/1)
Chemical Structure Depiction of
1-(2-hydroxyethyl)-2-{3-[1-(2-hydroxyethyl)[1]benzofuro[3,2-d][1,3]thiazol-2(1H)-ylidene]-2-methylprop-1-en-1-yl}[1]benzofuro[3,2-d][1,3]thiazol-1-ium--chloride (1/1)
1-(2-hydroxyethyl)-2-{3-[1-(2-hydroxyethyl)[1]benzofuro[3,2-d][1,3]thiazol-2(1H)-ylidene]-2-methylprop-1-en-1-yl}[1]benzofuro[3,2-d][1,3]thiazol-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 2056-0183 |
| Compound Name: | 1-(2-hydroxyethyl)-2-{3-[1-(2-hydroxyethyl)[1]benzofuro[3,2-d][1,3]thiazol-2(1H)-ylidene]-2-methylprop-1-en-1-yl}[1]benzofuro[3,2-d][1,3]thiazol-1-ium--chloride (1/1) |
| Molecular Weight: | 527.06 |
| Molecular Formula: | C26 H23 N2 O4 S2 |
| Salt: | Cl- |
| Smiles: | C/C(=C\c1[n+](CCO)c2c3ccccc3oc2s1)\C=C1/N(CCO)c2c3ccccc3oc2S1 |
| Stereo: | ACHIRAL |
| logP: | 6.273 |
| logD: | 6.273 |
| logSw: | -5.7033 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.218 |
| InChI Key: | HEVSDLBMVPOLAR-UHFFFAOYSA-N |