N-[5,6-dimethoxy-3-(prop-2-yn-1-yl)-1,3-benzothiazol-2(3H)-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Chemical Structure Depiction of
N-[5,6-dimethoxy-3-(prop-2-yn-1-yl)-1,3-benzothiazol-2(3H)-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
N-[5,6-dimethoxy-3-(prop-2-yn-1-yl)-1,3-benzothiazol-2(3H)-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Compound characteristics
| Compound ID: | G786-0402 |
| Compound Name: | N-[5,6-dimethoxy-3-(prop-2-yn-1-yl)-1,3-benzothiazol-2(3H)-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C21 H18 N2 O5 S |
| Smiles: | COc1cc2c(cc1OC)SC(=N/C(c1ccc3c(c1)OCCO3)=O)\N2CC#C |
| Stereo: | ACHIRAL |
| logP: | 2.393 |
| logD: | 2.393 |
| logSw: | -2.8084 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.593 |
| InChI Key: | AJHILFAEIMINGQ-UHFFFAOYSA-N |